ethyl 4-bromanyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-bromanyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-bromo-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate CAS Name: 4-bromo-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 4-bromo-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)OC)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C13H13BrN2O3/c1-3-19-13(17)12-10(14)11(15-16-12)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H,15,16)