(4-iodophenyl) 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (4-iodophenyl) 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (4-iodophenyl) 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (4-iodophenyl) ester Formula: C22H15IN2O2 MolecularWeight: 466.27117

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3=CC=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3=CC=C(C=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C22H15IN2O2/c23-17-11-13-19(14-12-17)27-22(26)20-15-25(18-9-5-2-6-10-18)24-21(20)16-7-3-1-4-8-16/h1-15H