(2-methoxy-5-nitro-phenyl)methyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetic acid (2-methoxy-5-nitro-benzyl) ester Formula: C19H15F3N2O6S MolecularWeight: 456.39241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O6S/c1-29-14-4-3-12(24(27)28)6-10(14)9-30-17(25)8-16-18(26)23-13-7-11(19(20,21)22)2-5-15(13)31-16/h2-7,16H,8-9H2,1H3,(H,23,26)