5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]cyclohexane-1,3-dione Traditional Name: 2-[2-keto-2-(4-nitrophenyl)ethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)CC(=O)C2=CC=C(C=C2)[N+](=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/h3-6,12H,7-9H2,1-2H3