[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[[5-oxidanylidene-5-(1-oxidanylidene-1-phenyl-propan-2-yl)oxy-pentanoyl]amino]benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[[5-oxidanylidene-5-(1-oxidanylidene-1-phenyl-propan-2-yl)oxy-pentanoyl]amino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-[[5-(1-methyl-2-oxo-2-phenyl-ethoxy)-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[1,5-dioxo-5-(1-oxo-1-phenylpropan-2-yl)oxypentyl]amino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[[5-oxo-5-(1-oxo-1-phenylpropan-2-yl)oxypentanoyl]amino]benzoate Traditional Name: 4-[[5-keto-5-(2-keto-1-methyl-2-phenyl-ethoxy)pentanoyl]amino]benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C29H26N2O9 MolecularWeight: 546.52474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O9/c1-19(28(35)20-7-3-2-4-8-20)40-27(34)12-6-11-26(33)30-23-15-13-21(14-16-23)29(36)39-18-25(32)22-9-5-10-24(17-22)31(37)38/h2-5,7-10,13-17,19H,6,11-12,18H2,1H3,(H,30,33)