(3,3-dimethyl-2-oxidanylidene-butyl) 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)C(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)C(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3/c1-11-14(15(21)22-10-13(20)16(2,3)4)18-19(17-11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3