2-methoxy-5-[[6-nitro-3-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-methoxy-5-[[6-nitro-3-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 5-[[3-(4-hydroxycyclohexyl)-6-nitro-2-oxo-benzimidazol-1-yl]methyl]-2-methoxy-benzonitrile CAS Name: 5-[[3-(4-hydroxycyclohexyl)-6-nitro-2-oxo-1-benzimidazolyl]methyl]-2-methoxybenzonitrile IUPAC Name: 5-[[3-(4-hydroxycyclohexyl)-6-nitro-2-oxobenzimidazol-1-yl]methyl]-2-methoxybenzonitrile Traditional Name: 5-[[3-(4-hydroxycyclohexyl)-2-keto-6-nitro-benzimidazol-1-yl]methyl]-2-methoxy-benzonitrile Formula: C22H22N4O5 MolecularWeight: 422.43388

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5/c1-31-21-9-2-14(10-15(21)12-23)13-24-20-11-17(26(29)30)5-8-19(20)25(22(24)28)16-3-6-18(27)7-4-16/h2,5,8-11,16,18,27H,3-4,6-7,13H2,1H3