[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C18H11F3N2O6S MolecularWeight: 440.34995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C18H11F3N2O6S/c19-18(20,21)29-13-4-1-11(2-5-13)22-16(24)9-28-17(25)15-8-10-7-12(23(26)27)3-6-14(10)30-15/h1-8H,9H2,(H,22,24)