ethyl 1-(4-iodophenyl)-5-(phenylcarbonyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-iodophenyl)-5-(phenylcarbonyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-benzoyl-1-(4-iodophenyl)pyrazole-3-carboxylate CAS Name: 5-benzoyl-1-(4-iodophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyl-1-(4-iodophenyl)pyrazole-3-carboxylate Traditional Name: 5-benzoyl-1-(4-iodophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H15IN2O3 MolecularWeight: 446.23847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)I

InChI

InChI=1S/C19H15IN2O3/c1-2-25-19(24)16-12-17(18(23)13-6-4-3-5-7-13)22(21-16)15-10-8-14(20)9-11-15/h3-12H,2H2,1H3