[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H14ClN3O5/c19-14-6-7-15(16(9-14)22(25)26)21-17(23)11-27-18(24)8-5-12-1-3-13(10-20)4-2-12/h1-4,6-7,9H,5,8,11H2,(H,21,23)