2-(6-methoxy-2-methyl-3-nitro-phenyl)-4,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(6-methoxy-2-methyl-3-nitro-phenyl)-4,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(6-methoxy-2-methyl-3-nitro-phenyl)-4,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-(6-methoxy-2-methyl-3-nitrophenyl)-4,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(6-methoxy-2-methyl-3-nitrophenyl)-4,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(6-methoxy-2-methyl-3-nitro-phenyl)-4,5-dimethyl-cyclohexane-1,3-quinone Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(=O)C1C)C2=C(C=CC(=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CC1CC(=O)C(C(=O)C1C)C2=C(C=CC(=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C16H19NO5/c1-8-7-12(18)15(16(19)9(8)2)14-10(3)11(17(20)21)5-6-13(14)22-4/h5-6,8-9,15H,7H2,1-4H3