[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C16H11N3O5/c20-15(10-2-1-3-12(6-10)19(22)23)8-24-16(21)11-4-5-13-14(7-11)18-9-17-13/h1-7,9H,8H2,(H,17,18)