5,5-dimethyl-2-(2-methyl-2-nitro-propyl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-(2-methyl-2-nitro-propyl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5,5-dimethyl-2-(2-methyl-2-nitro-propyl)cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-(2-methyl-2-nitropropyl)-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-(2-methyl-2-nitropropyl)cyclohex-2-en-1-one Traditional Name: 3-hydroxy-5,5-dimethyl-2-(2-methyl-2-nitro-propyl)cyclohex-2-en-1-one Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4/c1-11(2)6-9(14)8(10(15)7-11)5-12(3,4)13(16)17/h14H,5-7H2,1-4H3