[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C14H10ClF3N4O3 MolecularWeight: 374.70241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)NC(=O)COC(=O)C2=NC=CN=C2N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)NC(=O)COC(=O)C2=NC=CN=C2N)Cl

InChI

InChI=1S/C14H10ClF3N4O3/c15-8-2-1-7(14(16,17)18)5-9(8)22-10(23)6-25-13(24)11-12(19)21-4-3-20-11/h1-5H,6H2,(H2,19,21)(H,22,23)