ethyl 4-bromanyl-5-oxidanylidene-1,3-diphenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 4-bromanyl-5-oxidanylidene-1,3-diphenyl-pyrazole-4-carboxylate Openeye Name: ethyl 4-bromo-5-oxo-1,3-diphenyl-pyrazole-4-carboxylate CAS Name: 4-bromo-5-oxo-1,3-diphenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-oxo-1,3-diphenylpyrazole-4-carboxylate Traditional Name: 4-bromo-5-keto-1,3-diphenyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1(C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C18H15BrN2O3/c1-2-24-17(23)18(19)15(13-9-5-3-6-10-13)20-21(16(18)22)14-11-7-4-8-12-14/h3-12H,2H2,1H3