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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(4-acetamidoanilino)-4-oxo-butanoate CAS Name: 4-(4-acetamidoanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(4-acetamidoanilino)-4-oxobutanoate Traditional Name: 4-(4-acetamidoanilino)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H21N3O7 MolecularWeight: 427.40734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c1-13-3-4-15(11-18(13)24(29)30)19(26)12-31-21(28)10-9-20(27)23-17-7-5-16(6-8-17)22-14(2)25/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)(H,23,27)