(2-nitrophenyl)methyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (2-nitrophenyl)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-nitrophenyl)methyl ester IUPAC Name: (2-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-nitrobenzyl) ester Formula: C18H13F3N2O5S MolecularWeight: 426.36643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N2O5S/c19-18(20,21)11-5-6-14-12(7-11)22-17(25)15(29-14)8-16(24)28-9-10-3-1-2-4-13(10)23(26)27/h1-7,15H,8-9H2,(H,22,25)