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

Systemtic Name: 5-phenyl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione Openeye Name: 5-phenyl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione CAS Name: 5-phenyl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione IUPAC Name: 5-phenyl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione Traditional Name: 5-phenyl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-quinone Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O2/c18-11-6-12(10-4-2-1-3-5-10)14(13(19)7-11)17-9-15-8-16-17/h1-5,8-9,12,14H,6-7H2