(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propionic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H13F3N2O5S MolecularWeight: 402.34503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)COC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)COC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13F3N2O5S/c17-16(18,19)10-3-4-11(12(8-10)21(24)25)20-6-5-15(23)26-9-13(22)14-2-1-7-27-14/h1-4,7-8,20H,5-6,9H2