ethyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromophenyl)-2-oxo-ethyl]-5-methyl-pyrazole-3-carboxylate CAS Name: 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methylpyrazole-3-carboxylate Traditional Name: 2-[2-(4-bromophenyl)-2-keto-ethyl]-5-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C15H15BrN2O3/c1-3-21-15(20)13-8-10(2)17-18(13)9-14(19)11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3