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

Systemtic Name: 3-[[3,5-bis(chloranyl)-4-methoxy-phenyl]methyl]-5-nitro-1-(4-oxidanylcyclohexyl)benzimidazol-2-one Openeye Name: 3-[(3,5-dichloro-4-methoxy-phenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitro-benzimidazol-2-one CAS Name: 3-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitro-2-benzimidazolone IUPAC Name: 3-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitrobenzimidazol-2-one Traditional Name: 3-(3,5-dichloro-4-methoxy-benzyl)-1-(4-hydroxycyclohexyl)-5-nitro-benzimidazol-2-one Formula: C21H21Cl2N3O5 MolecularWeight: 466.31454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C4CCC(CC4)O)Cl

InChI

InChI=1S/C21H21Cl2N3O5/c1-31-20-16(22)8-12(9-17(20)23)11-24-19-10-14(26(29)30)4-7-18(19)25(21(24)28)13-2-5-15(27)6-3-13/h4,7-10,13,15,27H,2-3,5-6,11H2,1H3