tert-butyl 3-oxidanylidene-2-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-2-phenyl-1H-pyrazole-5-carboxylate Openeye Name: tert-butyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 5-keto-1-phenyl-3-pyrazoline-3-carboxylic acid tert-butyl ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)11-9-12(17)16(15-11)10-7-5-4-6-8-10/h4-9,15H,1-3H3