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

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C17H10F3N3O5S MolecularWeight: 425.33861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)SC=N2

InChI

InChI=1S/C17H10F3N3O5S/c18-17(19,20)11-6-10(23(26)27)2-4-12(11)22-15(24)7-28-16(25)9-1-3-13-14(5-9)29-8-21-13/h1-6,8H,7H2,(H,22,24)