[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-anilino-4-oxo-butanoate CAS Name: 4-anilino-4-oxobutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-anilino-4-oxobutanoate Traditional Name: 4-anilino-4-keto-butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c22-16(19-13-5-2-1-3-6-13)9-10-18(24)27-12-17(23)20-14-7-4-8-15(11-14)21(25)26/h1-8,11H,9-10,12H2,(H,19,22)(H,20,23)