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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl]-5-nitro-1-(4-oxidanylcyclohexyl)benzimidazol-2-one Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitro-benzimidazol-2-one CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitro-2-benzimidazolone IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-nitrobenzimidazol-2-one Traditional Name: 3-(3-bromo-4-methoxy-benzyl)-1-(4-hydroxycyclohexyl)-5-nitro-benzimidazol-2-one Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O5/c1-30-20-9-2-13(10-17(20)22)12-23-19-11-15(25(28)29)5-8-18(19)24(21(23)27)14-3-6-16(26)7-4-14/h2,5,8-11,14,16,26H,3-4,6-7,12H2,1H3