2-(4-methyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione

Systemtic Name: 2-(4-methyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione Openeye Name: 2-(4-methyl-2-nitro-benzoyl)cyclohexane-1,3-dione CAS Name: 2-[(4-methyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-(4-methyl-2-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: 2-(4-methyl-2-nitro-benzoyl)cyclohexane-1,3-quinone Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO5/c1-8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3