5-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=C(N(N=C2C)C)Cl)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=C(N(N=C2C)C)Cl)O

InChI

InChI=1S/C14H17ClN2O3/c1-4-9(18)13-10(19)5-8(6-11(13)20)12-7(2)16-17(3)14(12)15/h8,18H,4-6H2,1-3H3