3-[(3,4-dimethoxyphenyl)methyl]-5-nitro-1-(4-oxidanylcyclohexyl)benzimidazol-2-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-nitro-1-(4-oxidanylcyclohexyl)benzimidazol-2-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitro-benzimidazol-2-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitro-2-benzimidazolone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitrobenzimidazol-2-one Traditional Name: 1-(4-hydroxycyclohexyl)-5-nitro-3-veratryl-benzimidazol-2-one Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C4CCC(CC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C4CCC(CC4)O)OC

InChI

InChI=1S/C22H25N3O6/c1-30-20-10-3-14(11-21(20)31-2)13-23-19-12-16(25(28)29)6-9-18(19)24(22(23)27)15-4-7-17(26)8-5-15/h3,6,9-12,15,17,26H,4-5,7-8,13H2,1-2H3