ethyl 4-bromanyl-3-methyl-5-oxidanylidene-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 4-bromanyl-3-methyl-5-oxidanylidene-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 4-bromo-3-methyl-5-oxo-1-phenyl-pyrazole-4-carboxylate CAS Name: 4-bromo-3-methyl-5-oxo-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-3-methyl-5-oxo-1-phenylpyrazole-4-carboxylate Traditional Name: 4-bromo-5-keto-3-methyl-1-phenyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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