[(E)-4-oxidanylbut-2-enyl] 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: [(E)-4-oxidanylbut-2-enyl] 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: [(E)-4-hydroxybut-2-enyl] 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid [(E)-4-hydroxybut-2-enyl] ester IUPAC Name: [(E)-4-hydroxybut-2-enyl] 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid [(E)-4-hydroxybut-2-enyl] ester Formula: C18H13ClF3NO6 MolecularWeight: 431.74713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC=CCO

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC/C=C/CO

InChI

InChI=1S/C18H13ClF3NO6/c19-14-9-11(18(20,21)22)3-6-16(14)29-12-4-5-15(23(26)27)13(10-12)17(25)28-8-2-1-7-24/h1-6,9-10,24H,7-8H2/b2-1+