5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione

Systemtic Name: 5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione Openeye Name: 5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione CAS Name: 5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione IUPAC Name: 5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione Traditional Name: 5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-quinone Formula: C14H12ClN3O2 MolecularWeight: 289.71698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O2/c15-10-3-1-2-9(4-10)12-5-11(19)6-13(20)14(12)18-8-16-7-17-18/h1-4,7-8,12,14H,5-6H2