ethyl 5-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H17ClFN3O3 MolecularWeight: 413.829383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)/C=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H17ClFN3O3/c1-2-29-21(28)16-13-24-26(14-7-4-3-5-8-14)20(16)25-19(27)12-11-15-17(22)9-6-10-18(15)23/h3-13H,2H2,1H3,(H,25,27)/b12-11+