5-(2-chloranyl-6-fluoranyl-phenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione

Systemtic Name: 5-(2-chloranyl-6-fluoranyl-phenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione Openeye Name: 5-(2-chloro-6-fluoro-phenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione CAS Name: 5-(2-chloro-6-fluorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione IUPAC Name: 5-(2-chloro-6-fluorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione Traditional Name: 5-(2-chloro-6-fluoro-phenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-quinone Formula: C14H11ClFN3O2 MolecularWeight: 307.707443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=C(C=CC=C3Cl)F

Isomeric SMILES

C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C14H11ClFN3O2/c15-10-2-1-3-11(16)13(10)9-4-8(20)5-12(21)14(9)19-7-17-6-18-19/h1-3,6-7,9,14H,4-5H2