[7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-pyrrolidin-1-yl-methanone CAS Name: [7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-pyrrolidino-methanone Formula: C13H10F3N3O4S MolecularWeight: 361.29641

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H10F3N3O4S/c14-13(15,16)7-5-8-10(9(6-7)19(22)23)24-12(18(8)21)11(20)17-3-1-2-4-17/h5-6H,1-4H2