2-[3-(4-nitrophenyl)carbonyloxypropyl]-3H-benzimidazole-5-carboxylic acid hydrochloride

Systemtic Name: 2-[3-(4-nitrophenyl)carbonyloxypropyl]-3H-benzimidazole-5-carboxylic acid hydrochloride Openeye Name: 2-[3-(4-nitrobenzoyl)oxypropyl]-3H-benzimidazole-5-carboxylic acid hydrochloride CAS Name: 2-[3-[(4-nitrophenyl)-oxomethoxy]propyl]-3H-benzimidazole-5-carboxylic acid hydrochloride IUPAC Name: 2-[3-(4-nitrobenzoyl)oxypropyl]-3H-benzimidazole-5-carboxylic acid hydrochloride Traditional Name: 2-[3-(4-nitrobenzoyl)oxypropyl]-3H-benzimidazole-5-carboxylic acid hydrochloride Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCC2=NC3=C(N2)C=C(C=C3)C(=O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCC2=NC3=C(N2)C=C(C=C3)C(=O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H15N3O6.ClH/c22-17(23)12-5-8-14-15(10-12)20-16(19-14)2-1-9-27-18(24)11-3-6-13(7-4-11)21(25)26;/h3-8,10H,1-2,9H2,(H,19,20)(H,22,23);1H