[3-[(E)-[(2-oxidanyl-2,2-diphenyl-ethanoyl)hydrazinylidene]methyl]phenyl] 4-iodanyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [3-[(E)-[(2-oxidanyl-2,2-diphenyl-ethanoyl)hydrazinylidene]methyl]phenyl] 4-iodanyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [3-[(E)-[(2-hydroxy-2,2-diphenyl-acetyl)hydrazono]methyl]phenyl] 4-iodo-1-methyl-pyrazole-3-carboxylate CAS Name: 4-iodo-1-methyl-3-pyrazolecarboxylic acid [3-[(E)-[(2-hydroxy-1-oxo-2,2-diphenylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 4-iodo-1-methylpyrazole-3-carboxylate Traditional Name: 4-iodo-1-methyl-pyrazole-3-carboxylic acid [3-[(E)-(benziloylhydrazono)methyl]phenyl] ester Formula: C26H21IN4O4 MolecularWeight: 580.37381

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OC2=CC=CC(=C2)C=NNC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)I

InChI

InChI=1S/C26H21IN4O4/c1-31-17-22(27)23(30-31)24(32)35-21-14-8-9-18(15-21)16-28-29-25(33)26(34,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,34H,1H3,(H,29,33)/b28-16+