methyl 5-[4-bromanyl-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxidanylidene-1H-pyrazine-3-carboxylate

Systemtic Name: methyl 5-[4-bromanyl-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxidanylidene-1H-pyrazine-3-carboxylate Openeye Name: methyl 5-[4-bromo-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxylate CAS Name: 5-[4-bromo-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-bromo-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxylate Traditional Name: 5-[4-bromo-3-[2-(trifluoromethyl)phenyl]phenyl]-6-keto-1H-pyrazine-3-carboxylic acid methyl ester Formula: C19H12BrF3N2O3 MolecularWeight: 453.20939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=O)C(=N1)C2=CC(=C(C=C2)Br)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC(=O)C1=CNC(=O)C(=N1)C2=CC(=C(C=C2)Br)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H12BrF3N2O3/c1-28-18(27)15-9-24-17(26)16(25-15)10-6-7-14(20)12(8-10)11-4-2-3-5-13(11)19(21,22)23/h2-9H,1H3,(H,24,26)