ethyl 2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]thio]acetic acid ethyl ester Formula: C13H13F3N2O5S MolecularWeight: 366.31293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N2O5S/c1-2-23-12(20)7-24-6-11(19)17-9-4-3-8(13(14,15)16)5-10(9)18(21)22/h3-5H,2,6-7H2,1H3,(H,17,19)