5,5-dimethyl-2-(4-oxidanyl-6-phenyl-5H-1,2,4-triazin-5-yl)cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(4-oxidanyl-6-phenyl-5H-1,2,4-triazin-5-yl)cyclohexane-1,3-dione Openeye Name: 2-(4-hydroxy-6-phenyl-5H-1,2,4-triazin-5-yl)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-(4-hydroxy-6-phenyl-5H-1,2,4-triazin-5-yl)-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(4-hydroxy-6-phenyl-5H-1,2,4-triazin-5-yl)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(4-hydroxy-6-phenyl-5H-1,2,4-triazin-5-yl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C2C(=NN=CN2O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C2C(=NN=CN2O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H19N3O3/c1-17(2)8-12(21)14(13(22)9-17)16-15(19-18-10-20(16)23)11-6-4-3-5-7-11/h3-7,10,14,16,23H,8-9H2,1-2H3