ethyl 3-azanyl-2-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-2-ium-4-carboxylate

Systemtic Name: ethyl 3-azanyl-2-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-2-ium-4-carboxylate Openeye Name: ethyl 3-amino-2-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-2-ium-4-carboxylate CAS Name: 3-amino-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-2-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-2-ium-4-carboxylate Traditional Name: 3-amino-2-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-2-ium-4-carboxylic acid ethyl ester Formula: C12H12F3N4O2+ MolecularWeight: 301.24449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN[N+](=C1N)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN[N+](=C1N)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H11F3N4O2/c1-2-21-11(20)8-6-18-19(10(8)16)9-4-3-7(5-17-9)12(13,14)15/h3-6H,2H2,1H3,(H2,16,18,20)/p+1