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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-[4-chloranyl-3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H12ClF3N2O3 MolecularWeight: 372.72629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClF3N2O3/c1-9(22)11(7-21)14(23)8-25-15(24)5-3-10-2-4-13(17)12(6-10)16(18,19)20/h2-6,11,22H,8H2,1H3/b5-3+,22-9?