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

Systemtic Name: 5-[4-bromanyl-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxidanylidene-1H-pyrazine-3-carboxylic acid Openeye Name: 5-[4-bromo-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxylic acid CAS Name: 5-[4-bromo-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxylic acid IUPAC Name: 5-[4-bromo-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxylic acid Traditional Name: 5-[4-bromo-3-[2-(trifluoromethyl)phenyl]phenyl]-6-keto-1H-pyrazine-3-carboxylic acid Formula: C18H10BrF3N2O3 MolecularWeight: 439.18281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=CC(=C2)C3=NC(=CNC3=O)C(=O)O)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=CC(=C2)C3=NC(=CNC3=O)C(=O)O)Br)C(F)(F)F

InChI

InChI=1S/C18H10BrF3N2O3/c19-13-6-5-9(15-16(25)23-8-14(24-15)17(26)27)7-11(13)10-3-1-2-4-12(10)18(20,21)22/h1-8H,(H,23,25)(H,26,27)