methyl 1-[2,4-bis(fluoranyl)phenyl]-5-(phenyliminomethyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-[2,4-bis(fluoranyl)phenyl]-5-(phenyliminomethyl)pyrazole-4-carboxylate Openeye Name: methyl 1-(2,4-difluorophenyl)-5-(phenyliminomethyl)pyrazole-4-carboxylate CAS Name: 1-(2,4-difluorophenyl)-5-(phenyliminomethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-difluorophenyl)-5-(phenyliminomethyl)pyrazole-4-carboxylate Traditional Name: 1-(2,4-difluorophenyl)-5-(phenyliminomethyl)pyrazole-4-carboxylic acid methyl ester Formula: C18H13F2N3O2 MolecularWeight: 341.311526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)C=NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)C=NC3=CC=CC=C3

InChI

InChI=1S/C18H13F2N3O2/c1-25-18(24)14-10-22-23(16-8-7-12(19)9-15(16)20)17(14)11-21-13-5-3-2-4-6-13/h2-11H,1H3