N-(2-fluorophenyl)-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: N-(2-fluorophenyl)-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: N-(2-fluorophenyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: N-(2-fluorophenyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: N-(2-fluorophenyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: N-(2-fluorophenyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Formula: C15H7F4N3O4S MolecularWeight: 401.292393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-])F

InChI

InChI=1S/C15H7F4N3O4S/c16-8-3-1-2-4-9(8)20-13(23)14-21(24)10-5-7(15(17,18)19)6-11(22(25)26)12(10)27-14/h1-6H,(H,20,23)