[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C19H16IN3O3/c20-16-7-4-8-17(9-16)22-18(24)13-26-19(25)15-10-21-23(12-15)11-14-5-2-1-3-6-14/h1-10,12H,11,13H2,(H,22,24)