ethyl 5-tert-butyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-tert-butyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-tert-butyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-tert-butyl-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-tert-butyl-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C16H20N2O2/c1-5-20-15(19)13-11-17-18(14(13)16(2,3)4)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3