3-[(2-cyano-4-fluoranyl-phenyl)carbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[(2-cyano-4-fluoranyl-phenyl)carbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[(2-cyano-4-fluoro-phenyl)carbamoyl]pyrazine-2-carboxylate CAS Name: 3-[(2-cyano-4-fluoroanilino)-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[(2-cyano-4-fluoro-phenyl)carbamoyl]pyrazinate Formula: C13H6FN4O3- MolecularWeight: 285.210143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C#N)NC(=O)C2=NC=CN=C2C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)C#N)NC(=O)C2=NC=CN=C2C(=O)[O-]

InChI

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