N-[2-(3,4-dimethoxyphenyl)ethyl]-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: N-homoveratryl-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Formula: C19H16F3N3O6S MolecularWeight: 471.40705

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-])OC

InChI

InChI=1S/C19H16F3N3O6S/c1-30-14-4-3-10(7-15(14)31-2)5-6-23-17(26)18-24(27)12-8-11(19(20,21)22)9-13(25(28)29)16(12)32-18/h3-4,7-9H,5-6H2,1-2H3,(H,23,26)