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CAS 136285-65-9
Also known as: 136285-65-9, Ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate, 2-[1.1-dimethyl ethyl ethoxy carbonyl]amino-3-nitro benzoic acid ethyl ester, Ethyl2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate, Ethyl 2-(boc-amino)-3-nitrobenzoate, Ethyl 2-t-butoxycarbonylamino-3-nitrobenzoate
Molecular Formula
C14H18N2O6
Molecular Weight
310.30  g/mol
InChI Key
NYCBXLQKKUBOGV-UHFFFAOYSA-N

1 2D Structure

CAS 136285-65-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate
2.1.2 InChI
InChI=1S/C14H18N2O6/c1-5-21-12(17)9-7-6-8-10(16(19)20)11(9)15-13(18)22-14(2,3)4/h6-8H,5H2,1-4H3,(H,15,18)
2.1.3 InChI Key
NYCBXLQKKUBOGV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 136285-65-9

2. Ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate

3. 2-[1.1-dimethyl Ethyl Ethoxy Carbonyl]amino-3-nitro Benzoic Acid Ethyl Ester

4. Ethyl2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate

5. Ethyl 2-(boc-amino)-3-nitrobenzoate

6. Ethyl 2-t-butoxycarbonylamino-3-nitrobenzoate

7. Schembl3874517

8. Mfcd09833364

9. Zinc21989279

10. Akos015891242

11. Bs-50177

12. Sy284370

13. Db-063130

14. Cs-0094655

15. Ft-0737699

16. D88033

17. Ethyl 2 -t-butoxycarbonylamino-3-nitrobenzoate

18. Ethyl 2-(tert-butoxycarbonylamino)-3-nitrobenzoate

19. Ethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoate

20. Ethyl 2-{[(tert-butoxy)carbonyl]amino-3-nitrobenzoate

21. 2-[(tert-butyloxycarbonyl)amino]-3-nitrobenzoic Acid Ethyl Ester

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 310.30 g/mol
Molecular Formula C14H18N2O6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass310.11648630 g/mol
Monoisotopic Mass310.11648630 g/mol
Topological Polar Surface Area110 Ų
Heavy Atom Count22
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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136285-65-9
Candesartan Cilexetil
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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Azilsartan
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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