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Also known as: 205448-64-2, Methyl 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxybenzoate, Methyl 4-((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino)-2-methoxybenzoate, Benzoic acid, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-2-methoxy-, methyl ester, Methyl 4-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-2-methoxybenzoate, 4-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino]-2-methoxy-benzoic acid methyl ester
Molecular Formula
C16H17NO7
Molecular Weight
335.31  g/mol
InChI Key
FLQIWMCFHBVQGR-UHFFFAOYSA-N

CAS 205448-64-2
1 2D Structure

CAS 205448-64-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxybenzoate
2.1.2 InChI
InChI=1S/C16H17NO7/c1-16(2)23-14(19)11(15(20)24-16)8-17-9-5-6-10(13(18)22-4)12(7-9)21-3/h5-8,17H,1-4H3
2.1.3 InChI Key
FLQIWMCFHBVQGR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(OC(=O)C(=CNC2=CC(=C(C=C2)C(=O)OC)OC)C(=O)O1)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 205448-64-2

2. Methyl 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxybenzoate

3. Methyl 4-((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino)-2-methoxybenzoate

4. Benzoic Acid, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-2-methoxy-, Methyl Ester

5. Methyl 4-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-2-methoxybenzoate

6. 4-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino]-2-methoxy-benzoic Acid Methyl Ester

7. Schembl6004820

8. C16h17no7

9. Flqiwmcfhbvqgr-uhfffaoysa-n

10. Mfcd26395147

11. Ac-33585

12. Ds-19436

13. Cs-0153776

14. C73891

15. A913146

16. 5-((3-methoxy-4-methoxycarbonylanilino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

17. Methyl4-(((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)-2-methoxybenzoate

18. 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene)methyl]amino]-2-methoxybenzoic Acid Methyl Ester

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 335.31 g/mol
Molecular Formula C16H17NO7
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area100
Heavy Atom Count24
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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