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

Systemtic Name: 5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-2-(phenylmethyl)cyclohexane-1,3-dione Openeye Name: 2-benzyl-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]-2-(phenylmethyl)cyclohexane-1,3-dione IUPAC Name: 2-benzyl-5,5-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]cyclohexane-1,3-dione Traditional Name: 2-benzyl-2-[2-keto-2-(4-nitrophenyl)ethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)(CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)(CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H23NO5/c1-22(2)14-20(26)23(21(27)15-22,12-16-6-4-3-5-7-16)13-19(25)17-8-10-18(11-9-17)24(28)29/h3-11H,12-15H2,1-2H3