methyl 6-[3-[5-bromanyl-2-(trifluoromethyl)phenyl]-4-fluoranyl-phenyl]-4-methyl-5-oxidanylidene-pyrazine-2-carboxylate

Systemtic Name: methyl 6-[3-[5-bromanyl-2-(trifluoromethyl)phenyl]-4-fluoranyl-phenyl]-4-methyl-5-oxidanylidene-pyrazine-2-carboxylate Openeye Name: methyl 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluoro-phenyl]-4-methyl-5-oxo-pyrazine-2-carboxylate CAS Name: 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxo-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxylate Traditional Name: 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluoro-phenyl]-5-keto-4-methyl-pyrazinic acid methyl ester Formula: C20H13BrF4N2O3 MolecularWeight: 485.226433

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C(C1=O)C2=CC(=C(C=C2)F)C3=C(C=CC(=C3)Br)C(F)(F)F)C(=O)OC

Isomeric SMILES

CN1C=C(N=C(C1=O)C2=CC(=C(C=C2)F)C3=C(C=CC(=C3)Br)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C20H13BrF4N2O3/c1-27-9-16(19(29)30-2)26-17(18(27)28)10-3-6-15(22)13(7-10)12-8-11(21)4-5-14(12)20(23,24)25/h3-9H,1-2H3