[2-[[2,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[2,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(2,5-difluoroanilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(2,5-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(2,5-difluoroanilino)-2-keto-ethyl] ester Formula: C13H10F2N4O3 MolecularWeight: 308.240306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)NC(=O)COC(=O)C2=NC=CN=C2N)F

Isomeric SMILES

C1=CC(=C(C=C1F)NC(=O)COC(=O)C2=NC=CN=C2N)F

InChI

InChI=1S/C13H10F2N4O3/c14-7-1-2-8(15)9(5-7)19-10(20)6-22-13(21)11-12(16)18-4-3-17-11/h1-5H,6H2,(H2,16,18)(H,19,20)