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

Systemtic Name: [(E)-but-2-enyl] 4-acetyloxy-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: [(E)-but-2-enyl] 4-acetoxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 4-acetyloxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] 4-acetyloxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 4-acetoxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid [(E)-but-2-enyl] ester Formula: C20H15ClF3NO7 MolecularWeight: 473.78381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClF3NO7/c1-3-4-7-30-19(27)13-9-17(18(31-11(2)26)10-15(13)25(28)29)32-16-6-5-12(8-14(16)21)20(22,23)24/h3-6,8-10H,7H2,1-2H3/b4-3+