3-nitrooxypropyl (2E)-3-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylidene]butanoate

Systemtic Name: 3-nitrooxypropyl (2E)-3-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylidene]butanoate Openeye Name: 3-nitrooxypropyl (2E)-3-oxo-2-[[2-(trifluoromethyl)phenyl]methylene]butanoate CAS Name: (2E)-3-oxo-2-[[2-(trifluoromethyl)phenyl]methylidene]butanoic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl (2E)-3-oxo-2-[[2-(trifluoromethyl)phenyl]methylidene]butanoate Traditional Name: (E)-2-acetyl-3-[2-(trifluoromethyl)phenyl]acrylic acid 3-nitrooxypropyl ester Formula: C15H14F3NO6 MolecularWeight: 361.26997

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1C(F)(F)F)C(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1C(F)(F)F)/C(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C15H14F3NO6/c1-10(20)12(14(21)24-7-4-8-25-19(22)23)9-11-5-2-3-6-13(11)15(16,17)18/h2-3,5-6,9H,4,7-8H2,1H3/b12-9+