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

Systemtic Name: 2,5,5-trimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]cyclohexane-1,3-dione Openeye Name: 2,5,5-trimethyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]cyclohexane-1,3-dione CAS Name: 2,5,5-trimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]cyclohexane-1,3-dione IUPAC Name: 2,5,5-trimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]cyclohexane-1,3-dione Traditional Name: 2-[2-keto-2-(4-nitrophenyl)ethyl]-2,5,5-trimethyl-cyclohexane-1,3-quinone Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5/c1-16(2)9-14(20)17(3,15(21)10-16)8-13(19)11-4-6-12(7-5-11)18(22)23/h4-7H,8-10H2,1-3H3