methyl 2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylate Openeye Name: methyl 2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylate CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylate Traditional Name: 2-(3-aminoindoxazen-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid methyl ester Formula: C13H9F3N4O3 MolecularWeight: 326.23077

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1C2=CC3=C(C=C2)ON=C3N)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=NN1C2=CC3=C(C=C2)ON=C3N)C(F)(F)F

InChI

InChI=1S/C13H9F3N4O3/c1-22-12(21)8-5-10(13(14,15)16)18-20(8)6-2-3-9-7(4-6)11(17)19-23-9/h2-5H,1H3,(H2,17,19)