[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-oxidanylidene-4-phenacyloxy-butanoyl)amino]benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-oxidanylidene-4-phenacyloxy-butanoyl)amino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-[(4-oxo-4-phenacyloxy-butanoyl)amino]benzoate CAS Name: 4-[(1,4-dioxo-4-phenacyloxybutyl)amino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[(4-oxo-4-phenacyloxybutanoyl)amino]benzoate Traditional Name: 4-[(4-keto-4-phenacyloxy-butanoyl)amino]benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C27H22N2O9 MolecularWeight: 518.47158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O9/c30-23(18-5-2-1-3-6-18)16-37-26(33)14-13-25(32)28-21-11-9-19(10-12-21)27(34)38-17-24(31)20-7-4-8-22(15-20)29(35)36/h1-12,15H,13-14,16-17H2,(H,28,32)