methyl 3-(benzimidazol-1-ylcarbonyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(benzimidazol-1-ylcarbonyl)-5-nitro-benzoate Openeye Name: methyl 3-(benzimidazole-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[1-benzimidazolyl(oxo)methyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(benzimidazole-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(benzimidazole-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c1-24-16(21)11-6-10(7-12(8-11)19(22)23)15(20)18-9-17-13-4-2-3-5-14(13)18/h2-9H,1H3