5-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-2-(2-methyl-1-oxidanyl-propylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-2-(2-methyl-1-oxidanyl-propylidene)cyclohexane-1,3-dione Openeye Name: 5-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-2-(1-hydroxy-2-methyl-propylidene)cyclohexane-1,3-dione CAS Name: 5-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-(1-hydroxy-2-methylpropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-(1-hydroxy-2-methylpropylidene)cyclohexane-1,3-dione Traditional Name: 5-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-2-(1-hydroxy-2-methyl-propylidene)cyclohexane-1,3-quinone Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2CC(=O)C(=C(C(C)C)O)C(=O)C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C2CC(=O)C(=C(C(C)C)O)C(=O)C2)Cl)C

InChI

InChI=1S/C15H19ClN2O3/c1-7(2)14(21)13-10(19)5-9(6-11(13)20)12-8(3)17-18(4)15(12)16/h7,9,21H,5-6H2,1-4H3