ethyl 5-bromanyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-bromanyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-bromo-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-bromo-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-1-phenylpyrazole-4-carboxylate Traditional Name: 5-bromo-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2H2,1H3