3-oxidanylidenebutan-2-yl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3/c1-13(23)14(2)25-19(24)17-20-18(15-9-5-3-6-10-15)22(21-17)16-11-7-4-8-12-16/h3-12,14H,1-2H3