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

Systemtic Name: [2-oxidanylidene-2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] ester Formula: C17H17F3N4O4 MolecularWeight: 398.33649

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C17H17F3N4O4/c1-2-7-27-12-4-3-10(17(18,19)20)8-11(12)24-13(25)9-28-16(26)14-15(21)23-6-5-22-14/h3-6,8H,2,7,9H2,1H3,(H2,21,23)(H,24,25)