5,5-dimethyl-2-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[(2-hydroxy-5-nitro-phenyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(2-hydroxy-5-nitrophenyl)methyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[(2-hydroxy-5-nitrophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-(2-hydroxy-5-nitro-benzyl)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)CC2=C(C=CC(=C2)[N+](=O)[O-])O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)CC2=C(C=CC(=C2)[N+](=O)[O-])O)O)C

InChI

InChI=1S/C15H17NO5/c1-15(2)7-13(18)11(14(19)8-15)6-9-5-10(16(20)21)3-4-12(9)17/h3-5,17-18H,6-8H2,1-2H3