2-(5-benzamido-4-oxidanylidene-6-phenyl-hexanoyl)oxy-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-(5-benzamido-4-oxidanylidene-6-phenyl-hexanoyl)oxy-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-(5-benzamido-4-oxo-6-phenyl-hexanoyl)oxy-3-(4-nitrophenyl)propanoic acid CAS Name: 2-(5-benzamido-1,4-dioxo-6-phenylhexoxy)-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-(5-benzamido-4-oxo-6-phenylhexanoyl)oxy-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-(5-benzamido-4-keto-6-phenyl-hexanoyl)oxy-3-(4-nitrophenyl)propionic acid Formula: C28H26N2O8 MolecularWeight: 518.51464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CCC(=O)OC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)CCC(=O)OC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H26N2O8/c31-24(23(17-19-7-3-1-4-8-19)29-27(33)21-9-5-2-6-10-21)15-16-26(32)38-25(28(34)35)18-20-11-13-22(14-12-20)30(36)37/h1-14,23,25H,15-18H2,(H,29,33)(H,34,35)