4-[(5-nitro-2-propyl-benzimidazol-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(5-nitro-2-propyl-benzimidazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(5-nitro-2-propyl-benzimidazol-1-yl)methyl]benzoic acid CAS Name: 4-[(5-nitro-2-propyl-1-benzimidazolyl)methyl]benzoic acid IUPAC Name: 4-[(5-nitro-2-propylbenzimidazol-1-yl)methyl]benzoic acid Traditional Name: 4-[(5-nitro-2-propyl-benzimidazol-1-yl)methyl]benzoic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-2-3-17-19-15-10-14(21(24)25)8-9-16(15)20(17)11-12-4-6-13(7-5-12)18(22)23/h4-10H,2-3,11H2,1H3,(H,22,23)