3-[(4-methoxy-3-methyl-phenyl)methyl]-5-nitro-1-(4-oxidanylcyclohexyl)benzimidazol-2-one

Systemtic Name: 3-[(4-methoxy-3-methyl-phenyl)methyl]-5-nitro-1-(4-oxidanylcyclohexyl)benzimidazol-2-one Openeye Name: 1-(4-hydroxycyclohexyl)-3-[(4-methoxy-3-methyl-phenyl)methyl]-5-nitro-benzimidazol-2-one CAS Name: 1-(4-hydroxycyclohexyl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-nitro-2-benzimidazolone IUPAC Name: 1-(4-hydroxycyclohexyl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-nitrobenzimidazol-2-one Traditional Name: 1-(4-hydroxycyclohexyl)-3-(4-methoxy-3-methyl-benzyl)-5-nitro-benzimidazol-2-one Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C4CCC(CC4)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C4CCC(CC4)O)OC

InChI

InChI=1S/C22H25N3O5/c1-14-11-15(3-10-21(14)30-2)13-23-20-12-17(25(28)29)6-9-19(20)24(22(23)27)16-4-7-18(26)8-5-16/h3,6,9-12,16,18,26H,4-5,7-8,13H2,1-2H3