ethyl 5-[(E)-1,2-diphenylethenyl]-1-(4-iodophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-1,2-diphenylethenyl]-1-(4-iodophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[(E)-1,2-diphenylvinyl]-1-(4-iodophenyl)pyrazole-3-carboxylate CAS Name: 5-[(E)-1,2-diphenylethenyl]-1-(4-iodophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-1,2-diphenylethenyl]-1-(4-iodophenyl)pyrazole-3-carboxylate Traditional Name: 5-[(E)-1,2-diphenylvinyl]-1-(4-iodophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C26H21IN2O2 MolecularWeight: 520.36161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)I

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3)C4=CC=C(C=C4)I

InChI

InChI=1S/C26H21IN2O2/c1-2-31-26(30)24-18-25(29(28-24)22-15-13-21(27)14-16-22)23(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-18H,2H2,1H3/b23-17+