methyl 4-bromanyl-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: methyl 4-bromo-3-(o-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 4-bromo-3-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 4-bromo-3-(o-tolyl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NNC(=C2Br)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NNC(=C2Br)C(=O)OC

InChI

InChI=1S/C12H11BrN2O2/c1-7-5-3-4-6-8(7)10-9(13)11(15-14-10)12(16)17-2/h3-6H,1-2H3,(H,14,15)