N-[[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]methyl]-1-phenyl-methanamine

Systemtic Name: N-[[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]methyl]-1-phenyl-methanamine Openeye Name: N-[[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]methyl]-1-phenyl-methanamine CAS Name: N-[[4-(1-hydroxy-6-nitro-2-benzimidazolyl)phenyl]methyl]-1-phenylmethanamine IUPAC Name: N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-1-phenylmethanamine Traditional Name: benzyl-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)benzyl]amine Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C3=NC4=C(N3O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C3=NC4=C(N3O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3/c26-24-20-12-18(25(27)28)10-11-19(20)23-21(24)17-8-6-16(7-9-17)14-22-13-15-4-2-1-3-5-15/h1-12,22,26H,13-14H2