2-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-phenyl-benzimidazole-5-carboxamide

Systemtic Name: 2-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-phenyl-benzimidazole-5-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-methyl-1-phenyl-benzimidazole-5-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methyl-1-phenyl-5-benzimidazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-methyl-1-phenyl-benzimidazole-5-carboxamide Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H18N4O4/c1-14-24-19-12-15(7-9-20(19)25(14)17-5-3-2-4-6-17)22(28)23-13-16-11-18(26(29)30)8-10-21(16)27/h2-12,27H,13H2,1H3,(H,23,28)