1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-[4-(3-nitrophenyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-[4-(3-nitrophenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-[4-(3-nitrophenyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C14H7F3N4O4S MolecularWeight: 384.28999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H7F3N4O4S/c15-14(16,17)11-9(12(22)23)5-18-20(11)13-19-10(6-26-13)7-2-1-3-8(4-7)21(24)25/h1-6H,(H,22,23)