3-ethoxypropyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate

Systemtic Name: 3-ethoxypropyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate Openeye Name: 3-ethoxypropyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetic acid 3-ethoxypropyl ester IUPAC Name: 3-ethoxypropyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetic acid 3-ethoxypropyl ester Formula: C20H19ClF3NO6 MolecularWeight: 461.81617

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOCCCOC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClF3NO6/c1-2-29-8-3-9-30-19(26)11-13-10-15(5-6-17(13)25(27)28)31-18-7-4-14(12-16(18)21)20(22,23)24/h4-7,10,12H,2-3,8-9,11H2,1H3