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

Systemtic Name: 5-(2-methylpyrazol-3-yl)-2-propanoyl-cyclohexane-1,3-dione Openeye Name: 5-(2-methylpyrazol-3-yl)-2-propanoyl-cyclohexane-1,3-dione CAS Name: 5-(2-methyl-3-pyrazolyl)-2-(1-oxopropyl)cyclohexane-1,3-dione IUPAC Name: 5-(2-methylpyrazol-3-yl)-2-propanoylcyclohexane-1,3-dione Traditional Name: 5-(2-methylpyrazol-3-yl)-2-propionyl-cyclohexane-1,3-quinone Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c1-3-10(16)13-11(17)6-8(7-12(13)18)9-4-5-14-15(9)2/h4-5,8,13H,3,6-7H2,1-2H3