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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(2-methoxyanilino)-4-oxo-butanoate CAS Name: 4-(2-methoxyanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(2-methoxyanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(o-anisidino)butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13-7-8-14(11-16(13)22(26)27)17(23)12-29-20(25)10-9-19(24)21-15-5-3-4-6-18(15)28-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)