N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide Formula: C16H10F3N3O4S MolecularWeight: 397.32851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H10F3N3O4S/c1-26-11-6-10(22(24)25)7-12-13(11)20-15(27-12)21-14(23)8-3-2-4-9(5-8)16(17,18)19/h2-7H,1H3,(H,20,21,23)