2-[2-chloranyl-4-(1,2,4-triazol-1-yl)phenyl]carbonyl-5-methyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-4-(1,2,4-triazol-1-yl)phenyl]carbonyl-5-methyl-cyclohexane-1,3-dione Openeye Name: 2-[2-chloro-4-(1,2,4-triazol-1-yl)benzoyl]-5-methyl-cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-oxomethyl]-5-methylcyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-4-(1,2,4-triazol-1-yl)benzoyl]-5-methylcyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-(1,2,4-triazol-1-yl)benzoyl]-5-methyl-cyclohexane-1,3-quinone Formula: C16H14ClN3O3 MolecularWeight: 331.75366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)N3C=NC=N3)Cl

Isomeric SMILES

CC1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)N3C=NC=N3)Cl

InChI

InChI=1S/C16H14ClN3O3/c1-9-4-13(21)15(14(22)5-9)16(23)11-3-2-10(6-12(11)17)20-8-18-7-19-20/h2-3,6-9,15H,4-5H2,1H3