[2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(4-acetylanilino)-4-oxo-butanoate CAS Name: 4-(4-acetylanilino)-4-oxobutanoic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate Traditional Name: 4-(4-acetylanilino)-4-keto-butyric acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8/c1-13(25)14-3-5-15(6-4-14)22-19(26)9-10-21(28)32-12-20(27)23-17-11-16(31-2)7-8-18(17)24(29)30/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,23,27)