3-[5-[(4-nitrophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(4-nitrophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(4-nitrophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[(4-nitroanilino)-oxomethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(4-nitrophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(4-nitrophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C23H19N5O5 MolecularWeight: 445.42746

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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)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O5/c29-22(30)13-21(15-4-2-1-3-5-15)27-14-24-19-12-17(8-11-20(19)27)26-23(31)25-16-6-9-18(10-7-16)28(32)33/h1-12,14,21H,13H2,(H,29,30)(H2,25,26,31)