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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(4-ethoxyanilino)-4-oxo-butanoate CAS Name: 4-(4-ethoxyanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(4-ethoxyanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(p-phenetidino)butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7/c1-3-30-17-8-6-15(7-9-17)22-19(25)10-11-21(27)31-13-20(26)23-16-5-4-14(2)18(12-16)24(28)29/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,25)(H,23,26)