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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: 4-oxo-4-(4-phenoxyanilino)butanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: 4-keto-4-(4-phenoxyanilino)butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O7/c1-17-7-8-18(15-22(17)27(31)32)23(28)16-33-25(30)14-13-24(29)26-19-9-11-21(12-10-19)34-20-5-3-2-4-6-20/h2-12,15H,13-14,16H2,1H3,(H,26,29)