methyl 4-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]butanoate CAS Name: 4-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[3-chloro-2-keto-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]butyric acid methyl ester Formula: C13H14ClF3N2O4 MolecularWeight: 354.70947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CN1C=C(C=C(C1=O)Cl)C(F)(F)F

Isomeric SMILES

COC(=O)CCCNC(=O)CN1C=C(C=C(C1=O)Cl)C(F)(F)F

InChI

InChI=1S/C13H14ClF3N2O4/c1-23-11(21)3-2-4-18-10(20)7-19-6-8(13(15,16)17)5-9(14)12(19)22/h5-6H,2-4,7H2,1H3,(H,18,20)