2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]-7-oxidanyl-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]-7-oxidanyl-1H-benzimidazole-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-7-hydroxy-N-[(4-nitrophenyl)methyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-(4-chlorophenyl)-7-hydroxy-N-[(4-nitrophenyl)methyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-(4-chlorophenyl)-7-hydroxy-N-[(4-nitrophenyl)methyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-7-hydroxy-N-(4-nitrobenzyl)-1H-benzimidazole-4-carboxamide Formula: C21H15ClN4O4 MolecularWeight: 422.8212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=C3C(=C(C=C2)O)NC(=N3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=C3C(=C(C=C2)O)NC(=N3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O4/c22-14-5-3-13(4-6-14)20-24-18-16(9-10-17(27)19(18)25-20)21(28)23-11-12-1-7-15(8-2-12)26(29)30/h1-10,27H,11H2,(H,23,28)(H,24,25)