3-(5-nitro-2-phenyl-benzimidazol-1-yl)propanoic acid

Systemtic Name: 3-(5-nitro-2-phenyl-benzimidazol-1-yl)propanoic acid Openeye Name: 3-(5-nitro-2-phenyl-benzimidazol-1-yl)propanoic acid CAS Name: 3-(5-nitro-2-phenyl-1-benzimidazolyl)propanoic acid IUPAC Name: 3-(5-nitro-2-phenylbenzimidazol-1-yl)propanoic acid Traditional Name: 3-(5-nitro-2-phenyl-benzimidazol-1-yl)propionic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2CCC(=O)O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2CCC(=O)O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c20-15(21)8-9-18-14-7-6-12(19(22)23)10-13(14)17-16(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,20,21)