[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C19H16BrN3O4 MolecularWeight: 430.25204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H16BrN3O4/c1-12-14(10-22-23(12)18-5-3-4-8-21-18)19(25)27-11-16(24)13-6-7-17(26-2)15(20)9-13/h3-10H,11H2,1-2H3