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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

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