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

Systemtic Name: 3-propan-2-yloxypropyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate Openeye Name: 3-isopropoxypropyl 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-propan-2-yloxypropyl ester IUPAC Name: 3-propan-2-yloxypropyl 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-isopropoxypropyl ester Formula: C21H21ClF3NO6 MolecularWeight: 475.84275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClF3NO6/c1-13(2)30-8-3-9-31-20(27)11-14-10-16(5-6-18(14)26(28)29)32-19-7-4-15(12-17(19)22)21(23,24)25/h4-7,10,12-13H,3,8-9,11H2,1-2H3