(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H16ClFN2O3 MolecularWeight: 398.814743

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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)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)/C(=C/C1=CC=C(C=C1)Cl)/C2=CC=C(C=C2)F

InChI

InChI=1S/C21H16ClFN2O3/c1-13(25)19(11-24)20(26)12-28-21(27)18(15-4-8-17(23)9-5-15)10-14-2-6-16(22)7-3-14/h2-10,19,25H,12H2,1H3/b18-10+,25-13?