2-[2-chloranyl-4-(1,2,4-triazol-1-yl)phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-4-(1,2,4-triazol-1-yl)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-4-(1,2,4-triazol-1-yl)benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-4-(1,2,4-triazol-1-yl)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-(1,2,4-triazol-1-yl)benzoyl]cyclohexane-1,3-quinone Formula: C15H12ClN3O3 MolecularWeight: 317.72708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)N3C=NC=N3)Cl

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)N3C=NC=N3)Cl

InChI

InChI=1S/C15H12ClN3O3/c16-11-6-9(19-8-17-7-18-19)4-5-10(11)15(22)14-12(20)2-1-3-13(14)21/h4-8,14H,1-3H2