[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C13H10ClFN4O3 MolecularWeight: 324.694903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C2=NC=CN=C2N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=NC=CN=C2N)Cl)F

InChI

InChI=1S/C13H10ClFN4O3/c14-8-5-7(1-2-9(8)15)19-10(20)6-22-13(21)11-12(16)18-4-3-17-11/h1-5H,6H2,(H2,16,18)(H,19,20)