methyl 3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]thio]propionic acid methyl ester Formula: C13H13F3N2O5S MolecularWeight: 366.31293

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N2O5S/c1-23-12(20)4-5-24-7-11(19)17-9-3-2-8(13(14,15)16)6-10(9)18(21)22/h2-3,6H,4-5,7H2,1H3,(H,17,19)