ethyl 3-[5-chloranyl-2,4-bis(phenylmethoxy)phenyl]-4-iodanyl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-[5-chloranyl-2,4-bis(phenylmethoxy)phenyl]-4-iodanyl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-(2,4-dibenzyloxy-5-chloro-phenyl)-4-iodo-1H-pyrazole-5-carboxylate CAS Name: 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-iodo-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-iodo-1H-pyrazole-5-carboxylate Traditional Name: 3-(2,4-dibenzoxy-5-chloro-phenyl)-4-iodo-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C26H22ClIN2O4 MolecularWeight: 588.82135

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl)I

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl)I

InChI

InChI=1S/C26H22ClIN2O4/c1-2-32-26(31)25-23(28)24(29-30-25)19-13-20(27)22(34-16-18-11-7-4-8-12-18)14-21(19)33-15-17-9-5-3-6-10-17/h3-14H,2,15-16H2,1H3,(H,29,30)