[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C19H15BrFN3O3 MolecularWeight: 432.243103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H15BrFN3O3/c20-14-6-7-17(16(21)9-14)23-18(25)12-27-19(26)8-13-10-22-24(11-13)15-4-2-1-3-5-15/h1-7,9-11H,8,12H2,(H,23,25)