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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14F3NO6/c1-9(25-19(22)23)8-24-14(21)13(10(2)20)7-11-4-3-5-12(6-11)15(16,17)18/h3-7,9H,8H2,1-2H3/b13-7+