5,5-dimethyl-2-[2-(2-nitrophenyl)ethanoyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-(2-nitrophenyl)ethanoyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-(2-nitrophenyl)acetyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[2-(2-nitrophenyl)-1-oxoethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-(2-nitrophenyl)acetyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[2-(2-nitrophenyl)acetyl]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)C(=O)CC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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