5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-[(E)-4-oxidanylbut-2-enyl]benzoate

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-[(E)-4-oxidanylbut-2-enyl]benzoate Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-[(E)-4-hydroxybut-2-enyl]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-[(E)-4-hydroxybut-2-enyl]-2-nitrobenzoate IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-[(E)-4-hydroxybut-2-enyl]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-[(E)-4-hydroxybut-2-enyl]-2-nitro-benzoate Formula: C18H12ClF3NO6- MolecularWeight: 430.73919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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