methyl 4-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-bromo-3-(trifluoromethyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-bromo-3-(trifluoromethyl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-bromo-3-(trifluoromethyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-bromo-3-(trifluoromethyl)anilino]-4-keto-butyric acid methyl ester Formula: C12H11BrF3NO3 MolecularWeight: 354.11985

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F

InChI

InChI=1S/C12H11BrF3NO3/c1-20-11(19)5-4-10(18)17-7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6H,4-5H2,1H3,(H,17,18)