[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C20H19IN4O3 MolecularWeight: 490.29433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3I

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C20H19IN4O3/c1-13(2)19-14(11-23-25(19)17-9-5-6-10-22-17)20(27)28-12-18(26)24-16-8-4-3-7-15(16)21/h3-11,13H,12H2,1-2H3,(H,24,26)