5-methyl-3-(2-nitrophenyl)-5-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5-methyl-3-(2-nitrophenyl)-5-oxidanyl-cyclohex-2-en-1-one Openeye Name: 5-hydroxy-5-methyl-3-(2-nitrophenyl)cyclohex-2-en-1-one CAS Name: 5-hydroxy-5-methyl-3-(2-nitrophenyl)-1-cyclohex-2-enone IUPAC Name: 5-hydroxy-5-methyl-3-(2-nitrophenyl)cyclohex-2-en-1-one Traditional Name: 5-hydroxy-5-methyl-3-(2-nitrophenyl)cyclohex-2-en-1-one Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-13(16)7-9(6-10(15)8-13)11-4-2-3-5-12(11)14(17)18/h2-6,16H,7-8H2,1H3