2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-1H-benzimidazole

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-1H-benzimidazole Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-1H-benzimidazole CAS Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1H-benzimidazole IUPAC Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1H-benzimidazole Traditional Name: 2-(4,5-dimethoxy-2-nitro-benzyl)-1H-benzimidazole Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2=NC3=CC=CC=C3N2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NC3=CC=CC=C3N2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H15N3O4/c1-22-14-7-10(13(19(20)21)9-15(14)23-2)8-16-17-11-5-3-4-6-12(11)18-16/h3-7,9H,8H2,1-2H3,(H,17,18)