phenacyl 4-[[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: phenacyl 4-[[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: phenacyl 4-[[5-[2-(3-nitrophenyl)-2-oxo-ethoxy]-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[5-[2-(3-nitrophenyl)-2-oxoethoxy]-1,5-dioxopentyl]amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[[5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[5-keto-5-[2-keto-2-(3-nitrophenyl)ethoxy]pentanoyl]amino]benzoic acid phenacyl ester Formula: C28H24N2O9 MolecularWeight: 532.49816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O9/c31-24(19-6-2-1-3-7-19)18-39-28(35)20-12-14-22(15-13-20)29-26(33)10-5-11-27(34)38-17-25(32)21-8-4-9-23(16-21)30(36)37/h1-4,6-9,12-16H,5,10-11,17-18H2,(H,29,33)