[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-anilino-4-oxo-butanoate CAS Name: 4-anilino-4-oxobutanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-anilino-4-oxobutanoate Traditional Name: 4-anilino-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c1-13-7-8-15(11-16(13)22(26)27)21-18(24)12-28-19(25)10-9-17(23)20-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,24)