[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C16H11BrN2O3 MolecularWeight: 359.17414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)C2=CC3=C(C=C2)N=CN3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)C2=CC3=C(C=C2)N=CN3)Br

InChI

InChI=1S/C16H11BrN2O3/c17-12-4-1-10(2-5-12)15(20)8-22-16(21)11-3-6-13-14(7-11)19-9-18-13/h1-7,9H,8H2,(H,18,19)