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2-[(2-ethylpyrazol-3-yl)amino]-5-(trifluoromethylsulfonyl)benzoic acid

2-[(2-ethylpyrazol-3-yl)amino]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name:2-[(2-ethylpyrazol-3-yl)amino]-5-(trifluoromethylsulfonyl)benzoic acid
Openeye Name:2-[(2-ethylpyrazol-3-yl)amino]-5-(trifluoromethylsulfonyl)benzoic acid
CAS Name:2-[(2-ethyl-3-pyrazolyl)amino]-5-(trifluoromethylsulfonyl)benzoic acid
IUPAC Name:2-[(2-ethylpyrazol-3-yl)amino]-5-(trifluoromethylsulfonyl)benzoic acid
Traditional Name:2-[(2-ethylpyrazol-3-yl)amino]-5-triflyl-benzoic acid
Formula: C13H12F3N3O4S
MolecularWeight: 363.31229
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O


Isomeric SMILES

CCN1C(=CC=N1)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O


InChI

InChI=1S/C13H12F3N3O4S/c1-2-19-11(5-6-17-19)18-10-4-3-8(7-9(10)12(20)21)24(22,23)13(14,15)16/h3-7,18H,2H2,1H3,(H,20,21)


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