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

Systemtic Name: 3-methoxypropyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate Openeye Name: 3-methoxypropyl 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-methoxypropyl ester IUPAC Name: 3-methoxypropyl 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-methoxypropyl ester Formula: C19H17ClF3NO6 MolecularWeight: 447.78959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClF3NO6/c1-28-7-2-8-29-18(25)10-12-9-14(4-5-16(12)24(26)27)30-17-6-3-13(11-15(17)20)19(21,22)23/h3-6,9,11H,2,7-8,10H2,1H3