ethyl 4,4-bis(bromanyl)-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4,4-bis(bromanyl)-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4,4-dibromo-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: 4,4-dibromo-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4,4-dibromo-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: 4,4-dibromo-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C12H10Br2N2O3 MolecularWeight: 390.0274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10Br2N2O3/c1-2-19-10(17)9-12(13,14)11(18)16(15-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3