propan-2-yl 2-[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]butanoate

Systemtic Name: propan-2-yl 2-[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]butanoate Openeye Name: isopropyl 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]butanoate CAS Name: 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]butanoate Traditional Name: 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]butyric acid isopropyl ester Formula: C20H19ClF3NO6 MolecularWeight: 461.81617

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)C)OC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OC(C)C)OC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClF3NO6/c1-4-16(19(26)29-11(2)3)31-18-8-6-13(10-15(18)25(27)28)30-17-7-5-12(9-14(17)21)20(22,23)24/h5-11,16H,4H2,1-3H3