tert-butyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate

Systemtic Name: tert-butyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate Openeye Name: tert-butyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate CAS Name: 3-phenyl-3,4-dihydropyrazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate Traditional Name: 5-phenyl-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CC=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3