3-(5-nitrobenzimidazol-1-yl)-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-(5-nitrobenzimidazol-1-yl)-3-pyridin-3-yl-propanoic acid Openeye Name: 3-(5-nitrobenzimidazol-1-yl)-3-(3-pyridyl)propanoic acid CAS Name: 3-(5-nitro-1-benzimidazolyl)-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-(5-nitrobenzimidazol-1-yl)-3-pyridin-3-ylpropanoic acid Traditional Name: 3-(5-nitrobenzimidazol-1-yl)-3-(3-pyridyl)propionic acid Formula: C15H12N4O4 MolecularWeight: 312.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O4/c20-15(21)7-14(10-2-1-5-16-8-10)18-9-17-12-6-11(19(22)23)3-4-13(12)18/h1-6,8-9,14H,7H2,(H,20,21)