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

Systemtic Name: 3-[(3-ethanoyl-4-methoxy-phenyl)methyl]-5-nitro-1-(4-oxidanylcyclohexyl)benzimidazol-2-one Openeye Name: 3-[(3-acetyl-4-methoxy-phenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitro-benzimidazol-2-one CAS Name: 3-[(3-acetyl-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitro-2-benzimidazolone IUPAC Name: 3-[(3-acetyl-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitrobenzimidazol-2-one Traditional Name: 3-(3-acetyl-4-methoxy-benzyl)-1-(4-hydroxycyclohexyl)-5-nitro-benzimidazol-2-one Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6/c1-14(27)19-11-15(3-10-22(19)32-2)13-24-21-12-17(26(30)31)6-9-20(21)25(23(24)29)16-4-7-18(28)8-5-16/h3,6,9-12,16,18,28H,4-5,7-8,13H2,1-2H3