2-(4-chloranyl-2-nitro-phenyl)carbonyl-5-(dimethoxymethyl)-5-methyl-cyclohexane-1,3-dione

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)carbonyl-5-(dimethoxymethyl)-5-methyl-cyclohexane-1,3-dione Openeye Name: 2-(4-chloro-2-nitro-benzoyl)-5-(dimethoxymethyl)-5-methyl-cyclohexane-1,3-dione CAS Name: 2-[(4-chloro-2-nitrophenyl)-oxomethyl]-5-(dimethoxymethyl)-5-methylcyclohexane-1,3-dione IUPAC Name: 2-(4-chloro-2-nitrobenzoyl)-5-(dimethoxymethyl)-5-methylcyclohexane-1,3-dione Traditional Name: 2-(4-chloro-2-nitro-benzoyl)-5-(dimethoxymethyl)-5-methyl-cyclohexane-1,3-quinone Formula: C17H18ClNO7 MolecularWeight: 383.78032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO7/c1-17(16(25-2)26-3)7-12(20)14(13(21)8-17)15(22)10-5-4-9(18)6-11(10)19(23)24/h4-6,14,16H,7-8H2,1-3H3