2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 2-(3-aminoindoxazen-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C12H7F3N4O3 MolecularWeight: 312.20419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N3C(=CC(=N3)C(F)(F)F)C(=O)O)C(=NO2)N

Isomeric SMILES

C1=CC2=C(C=C1N3C(=CC(=N3)C(F)(F)F)C(=O)O)C(=NO2)N

InChI

InChI=1S/C12H7F3N4O3/c13-12(14,15)9-4-7(11(20)21)19(17-9)5-1-2-8-6(3-5)10(16)18-22-8/h1-4H,(H2,16,18)(H,20,21)