3-(3,4-dimethoxyphenyl)-4-nitro-3-oxidanyl-cyclohexan-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-nitro-3-oxidanyl-cyclohexan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-3-hydroxy-4-nitro-cyclohexanone CAS Name: 3-(3,4-dimethoxyphenyl)-3-hydroxy-4-nitro-1-cyclohexanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-3-hydroxy-4-nitrocyclohexan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-3-hydroxy-4-nitro-cyclohexanone Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC(=O)CCC2[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC(=O)CCC2[N+](=O)[O-])O)OC

InChI

InChI=1S/C14H17NO6/c1-20-11-5-3-9(7-12(11)21-2)14(17)8-10(16)4-6-13(14)15(18)19/h3,5,7,13,17H,4,6,8H2,1-2H3