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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(2-ethylanilino)-4-oxo-butanoate CAS Name: 4-(2-ethylanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate Traditional Name: 4-(2-ethylanilino)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-3-15-6-4-5-7-17(15)23-19(25)10-11-21(27)30-13-20(26)22-16-9-8-14(2)18(12-16)24(28)29/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)(H,23,25)