methyl 5-[(4-bromophenyl)methyl]-3-tert-butyl-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(4-bromophenyl)methyl]-3-tert-butyl-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)methyl]-3-tert-butyl-1H-pyrazole-4-carboxylate CAS Name: 5-[(4-bromophenyl)methyl]-3-tert-butyl-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)methyl]-3-tert-butyl-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-bromobenzyl)-3-tert-butyl-1H-pyrazole-4-carboxylic acid methyl ester Formula: C16H19BrN2O2 MolecularWeight: 351.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=C1C(=O)OC)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1=NNC(=C1C(=O)OC)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H19BrN2O2/c1-16(2,3)14-13(15(20)21-4)12(18-19-14)9-10-5-7-11(17)8-6-10/h5-8H,9H2,1-4H3,(H,18,19)