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

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H20BrN3O4/c1-13(2)20-15(11-24-25(20)19-6-4-5-9-23-19)21(27)29-12-17(26)14-7-8-18(28-3)16(22)10-14/h4-11,13H,12H2,1-3H3