3-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]pyrazinoic acid Formula: C13H7BrF3N3O3 MolecularWeight: 390.11219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=NC=CN=C2C(=O)O)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=NC=CN=C2C(=O)O)C(F)(F)F)Br

InChI

InChI=1S/C13H7BrF3N3O3/c14-8-2-1-6(5-7(8)13(15,16)17)20-11(21)9-10(12(22)23)19-4-3-18-9/h1-5H,(H,20,21)(H,22,23)