5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]cyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[2-keto-2-(4-nitrophenyl)ethyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5/c1-16(2)8-14(19)12(15(20)9-16)7-13(18)10-3-5-11(6-4-10)17(21)22/h3-6,19H,7-9H2,1-2H3