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

Systemtic Name: 7-nitro-3-oxidanidyl-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: 7-nitro-3-oxido-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: 7-nitro-3-oxido-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: 7-nitro-3-oxido-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: 7-nitro-3-oxido-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium-2-carboxamide Formula: C16H7F6N3O4S MolecularWeight: 451.299899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H7F6N3O4S/c17-15(18,19)7-2-1-3-9(4-7)23-13(26)14-24(27)10-5-8(16(20,21)22)6-11(25(28)29)12(10)30-14/h1-6H,(H,23,26)