6-(4-chloranyl-2-nitro-phenyl)carbonyl-2,2,4,4-tetramethyl-cyclohexane-1,3,5-trione

Systemtic Name: 6-(4-chloranyl-2-nitro-phenyl)carbonyl-2,2,4,4-tetramethyl-cyclohexane-1,3,5-trione Openeye Name: 6-(4-chloro-2-nitro-benzoyl)-2,2,4,4-tetramethyl-cyclohexane-1,3,5-trione CAS Name: 6-[(4-chloro-2-nitrophenyl)-oxomethyl]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione IUPAC Name: 6-(4-chloro-2-nitrobenzoyl)-2,2,4,4-tetramethylcyclohexane-1,3,5-trione Traditional Name: 6-(4-chloro-2-nitro-benzoyl)-2,2,4,4-tetramethyl-cyclohexane-1,3,5-trione Formula: C17H16ClNO6 MolecularWeight: 365.76504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO6/c1-16(2)13(21)11(14(22)17(3,4)15(16)23)12(20)9-6-5-8(18)7-10(9)19(24)25/h5-7,11H,1-4H3