3-[(2-cyano-3-fluoranyl-phenyl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(2-cyano-3-fluoranyl-phenyl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(2-cyano-3-fluoro-phenyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[(2-cyano-3-fluoroanilino)-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(2-cyano-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(2-cyano-3-fluoro-phenyl)carbamoyl]pyrazinoic acid Formula: C13H7FN4O3 MolecularWeight: 286.218083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C#N)NC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)F)C#N)NC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C13H7FN4O3/c14-8-2-1-3-9(7(8)6-15)18-12(19)10-11(13(20)21)17-5-4-16-10/h1-5H,(H,18,19)(H,20,21)