ethyl 1-(4-iodophenyl)-4-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-iodophenyl)-4-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-iodophenyl)-4-phenyl-pyrazole-3-carboxylate CAS Name: 1-(4-iodophenyl)-4-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-iodophenyl)-4-phenylpyrazole-3-carboxylate Traditional Name: 1-(4-iodophenyl)-4-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C18H15IN2O2 MolecularWeight: 418.22837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=NN(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H15IN2O2/c1-2-23-18(22)17-16(13-6-4-3-5-7-13)12-21(20-17)15-10-8-14(19)9-11-15/h3-12H,2H2,1H3