diethyl 2-[3-azanyl-5-(trifluoromethyl)pyridin-2-yl]propanedioate

Systemtic Name: diethyl 2-[3-azanyl-5-(trifluoromethyl)pyridin-2-yl]propanedioate Openeye Name: diethyl 2-[3-amino-5-(trifluoromethyl)-2-pyridyl]propanedioate CAS Name: 2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-amino-5-(trifluoromethyl)pyridin-2-yl]propanedioate Traditional Name: 2-[3-amino-5-(trifluoromethyl)-2-pyridyl]malonic acid diethyl ester Formula: C13H15F3N2O4 MolecularWeight: 320.26441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)N)C(=O)OCC

InChI

InChI=1S/C13H15F3N2O4/c1-3-21-11(19)9(12(20)22-4-2)10-8(17)5-7(6-18-10)13(14,15)16/h5-6,9H,3-4,17H2,1-2H3