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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(4-ethoxyanilino)-4-oxo-butanoate CAS Name: 4-(4-ethoxyanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(4-ethoxyanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(p-phenetidino)butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-3-29-17-8-6-16(7-9-17)22-20(25)10-11-21(26)30-13-19(24)15-5-4-14(2)18(12-15)23(27)28/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,25)