3-[2-(5-benzamido-4-oxidanylidene-6-phenyl-hexanoyl)oxy-4-nitro-phenyl]propanoic acid

Systemtic Name: 3-[2-(5-benzamido-4-oxidanylidene-6-phenyl-hexanoyl)oxy-4-nitro-phenyl]propanoic acid Openeye Name: 3-[2-(5-benzamido-4-oxo-6-phenyl-hexanoyl)oxy-4-nitro-phenyl]propanoic acid CAS Name: 3-[2-(5-benzamido-1,4-dioxo-6-phenylhexoxy)-4-nitrophenyl]propanoic acid IUPAC Name: 3-[2-(5-benzamido-4-oxo-6-phenylhexanoyl)oxy-4-nitrophenyl]propanoic acid Traditional Name: 3-[2-(5-benzamido-4-keto-6-phenyl-hexanoyl)oxy-4-nitro-phenyl]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)OC2=C(C=CC(=C2)[N+](=O)[O-])CCC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)CCC(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])CCC(=O)O)NC(=O)C3=CC=CC=C3

InChI

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