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

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methyl]-5-nitro-1-(4-oxidanylcyclohexyl)benzimidazol-2-one Openeye Name: 1-(4-hydroxycyclohexyl)-3-[(4-methoxy-3-nitro-phenyl)methyl]-5-nitro-benzimidazol-2-one CAS Name: 1-(4-hydroxycyclohexyl)-3-[(4-methoxy-3-nitrophenyl)methyl]-5-nitro-2-benzimidazolone IUPAC Name: 1-(4-hydroxycyclohexyl)-3-[(4-methoxy-3-nitrophenyl)methyl]-5-nitrobenzimidazol-2-one Traditional Name: 1-(4-hydroxycyclohexyl)-3-(4-methoxy-3-nitro-benzyl)-5-nitro-benzimidazol-2-one Formula: C21H22N4O7 MolecularWeight: 442.42198

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O7/c1-32-20-9-2-13(10-19(20)25(30)31)12-22-18-11-15(24(28)29)5-8-17(18)23(21(22)27)14-3-6-16(26)7-4-14/h2,5,8-11,14,16,26H,3-4,6-7,12H2,1H3