1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-(N-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate

2.1.2 InChI

InChI=1S/C17H15ClN2O5/c1-2-25-17(22)11-16(21)19(13-6-4-3-5-7-13)15-10-12(18)8-9-14(15)20(23)24/h3-10H,2,11H2,1H3

2.1.3 InChI Key

ZRYOWWCGEBQSKY-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

FPS7SZ92TY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 22316-45-6

2. 5'-chloro-2'-nitro-n-phenyl-malonanilic Acid Ethyl Ester

3. Ethyl 3-(n-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate

4. Fps7sz92ty

5. Ethyl 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxopropionate

6. Ethyl 5'-chloro-2'-nitro-n-phenylmalonanilate

7. 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxo-propanoic Acid Ethyl Ester;

8. Einecs 244-907-1

9. 5'-chloro-2'-nitro-n-phenylmalonanilic Acid Ethyl Ester

10. Unii-fps7sz92ty

11. Schembl11554466

12. Dtxsid80176858

13. Zryowwcgebqsky-uhfffaoysa-n

14. Akos030254676

15. Propanoic Acid, 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxo-, Ethyl Ester

16. Ns00027125

17. Malonanilic Acid, 5'-chloro-2'-nitro-n-phenyl-, Ethyl Ester

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₅ClN₂O₅
Molecular Weight	362.8 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	92.4
Heavy Atom Count	25
Formal Charge	0
Complexity	490
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

22316-45-6