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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(2-methoxyanilino)-4-oxo-butanoate CAS Name: 4-(2-methoxyanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(2-methoxyanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(o-anisidino)butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7/c1-13-7-8-14(11-16(13)23(27)28)21-19(25)12-30-20(26)10-9-18(24)22-15-5-3-4-6-17(15)29-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)(H,22,24)