methyl (3Z,5E)-3-nitro-2-oxidanyl-6-phenyl-2-(trifluoromethyl)hexa-3,5-dienoate

Systemtic Name: methyl (3Z,5E)-3-nitro-2-oxidanyl-6-phenyl-2-(trifluoromethyl)hexa-3,5-dienoate Openeye Name: methyl (3Z,5E)-2-hydroxy-3-nitro-6-phenyl-2-(trifluoromethyl)hexa-3,5-dienoate CAS Name: (3Z,5E)-2-hydroxy-3-nitro-6-phenyl-2-(trifluoromethyl)hexa-3,5-dienoic acid methyl ester IUPAC Name: methyl (3Z,5E)-2-hydroxy-3-nitro-6-phenyl-2-(trifluoromethyl)hexa-3,5-dienoate Traditional Name: (3Z,5E)-2-hydroxy-3-nitro-6-phenyl-2-(trifluoromethyl)hexa-3,5-dienoic acid methyl ester Formula: C14H12F3NO5 MolecularWeight: 331.24399

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=CC=CC1=CC=CC=C1)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

COC(=O)C(/C(=C/C=C/C1=CC=CC=C1)/[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C14H12F3NO5/c1-23-12(19)13(20,14(15,16)17)11(18(21)22)9-5-8-10-6-3-2-4-7-10/h2-9,20H,1H3/b8-5+,11-9-