3-[5-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(2-hydroxy-5-nitro-benzoyl)amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(2-hydroxy-5-nitrobenzoyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(2-hydroxy-5-nitro-benzoyl)amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C23H18N4O6 MolecularWeight: 446.41222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N4O6/c28-21-9-7-16(27(32)33)11-17(21)23(31)25-15-6-8-19-18(10-15)24-13-26(19)20(12-22(29)30)14-4-2-1-3-5-14/h1-11,13,20,28H,12H2,(H,25,31)(H,29,30)