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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O5/c26-20(15-7-4-8-17(11-15)25(28)29)13-30-22(27)16-9-10-18-19(12-16)24-21(23-18)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)