[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] 5-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxy-2-nitro-benzoate

Systemtic Name: [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] 5-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxy-2-nitro-benzoate Openeye Name: [(1S)-2-ethoxy-1-methyl-2-oxo-ethyl] 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]-2-nitro-benzoate CAS Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-nitrobenzoic acid [(2S)-1-ethoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-ethoxy-1-oxopropan-2-yl] 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-nitrobenzoate Traditional Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]-2-nitro-benzoic acid [(1S)-2-ethoxy-2-keto-1-methyl-ethyl] ester Formula: C18H14ClF3N2O7 MolecularWeight: 462.76117

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClF3N2O7/c1-3-29-16(25)9(2)30-17(26)12-7-11(4-5-14(12)24(27)28)31-15-13(19)6-10(8-23-15)18(20,21)22/h4-9H,3H2,1-2H3/t9-/m0/s1