5-(2,5-dimethylpyrazol-3-yl)-2-propanoyl-cyclohexane-1,3-dione

Systemtic Name: 5-(2,5-dimethylpyrazol-3-yl)-2-propanoyl-cyclohexane-1,3-dione Openeye Name: 5-(2,5-dimethylpyrazol-3-yl)-2-propanoyl-cyclohexane-1,3-dione CAS Name: 5-(2,5-dimethyl-3-pyrazolyl)-2-(1-oxopropyl)cyclohexane-1,3-dione IUPAC Name: 5-(2,5-dimethylpyrazol-3-yl)-2-propanoylcyclohexane-1,3-dione Traditional Name: 5-(2,5-dimethylpyrazol-3-yl)-2-propionyl-cyclohexane-1,3-quinone Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CC(CC1=O)C2=CC(=NN2C)C

Isomeric SMILES

CCC(=O)C1C(=O)CC(CC1=O)C2=CC(=NN2C)C

InChI

InChI=1S/C14H18N2O3/c1-4-11(17)14-12(18)6-9(7-13(14)19)10-5-8(2)15-16(10)3/h5,9,14H,4,6-7H2,1-3H3