ethyl 2-[[2-nitro-5-(trifluoromethyl)-1-benzothiophen-3-yl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[[2-nitro-5-(trifluoromethyl)-1-benzothiophen-3-yl]amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[[2-nitro-5-(trifluoromethyl)benzothiophen-3-yl]amino]-2-oxo-acetate CAS Name: 2-[[2-nitro-5-(trifluoromethyl)-1-benzothiophen-3-yl]amino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[[2-nitro-5-(trifluoromethyl)-1-benzothiophen-3-yl]amino]-2-oxoacetate Traditional Name: 2-keto-2-[[2-nitro-5-(trifluoromethyl)benzothiophen-3-yl]amino]acetic acid ethyl ester Formula: C13H9F3N2O5S MolecularWeight: 362.28117

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC1=C(SC2=C1C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)NC1=C(SC2=C1C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H9F3N2O5S/c1-2-23-12(20)10(19)17-9-7-5-6(13(14,15)16)3-4-8(7)24-11(9)18(21)22/h3-5H,2H2,1H3,(H,17,19)