(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(trifluoromethyl)phenyl]acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H13F3N2O3 MolecularWeight: 338.28123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C=CC1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)/C=C/C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O3/c1-10(21)13(8-20)14(22)9-24-15(23)7-4-11-2-5-12(6-3-11)16(17,18)19/h2-7,13,21H,9H2,1H3/b7-4+,21-10?