[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C19H16IN3O3 MolecularWeight: 461.25311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3I

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C19H16IN3O3/c1-12-6-8-13(9-7-12)16-10-17(23-22-16)19(25)26-11-18(24)21-15-5-3-2-4-14(15)20/h2-10H,11H2,1H3,(H,21,24)(H,22,23)