ethyl 5-azanyl-6-oxidanylidene-1-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazine-3-carboxylate

Systemtic Name: ethyl 5-azanyl-6-oxidanylidene-1-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazine-3-carboxylate Openeye Name: ethyl 5-amino-6-oxo-1-[5-(trifluoromethyl)-2-pyridyl]-1,2,4-triazine-3-carboxylate CAS Name: 5-amino-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-6-oxo-1-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazine-3-carboxylate Traditional Name: 5-amino-6-keto-1-[5-(trifluoromethyl)-2-pyridyl]-1,2,4-triazine-3-carboxylic acid ethyl ester Formula: C12H10F3N5O3 MolecularWeight: 329.23471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C(=N1)N)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C(=N1)N)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H10F3N5O3/c1-2-23-11(22)9-18-8(16)10(21)20(19-9)7-4-3-6(5-17-7)12(13,14)15/h3-5H,2H2,1H3,(H2,16,18,19)