(3,3-dimethyl-2-oxidanylidene-butyl) 5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(NN=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(NN=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3/c1-16(2,3)13(19)10-21-15(20)12-9-17-18-14(12)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,17,18)