[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C18H12F3N3O6S MolecularWeight: 455.36459

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H12F3N3O6S/c19-18(20,21)11-6-10(24(28)29)2-3-12(11)22-15(25)7-30-17(27)9-1-4-14-13(5-9)23-16(26)8-31-14/h1-6H,7-8H2,(H,22,25)(H,23,26)