(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-fluorophenyl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-fluorophenyl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H15FN2O3 MolecularWeight: 290.289603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CC=C(C=C1)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CC=C(C=C1)F

InChI

InChI=1S/C15H15FN2O3/c1-10(18)13(8-17)14(19)9-21-15(20)7-4-11-2-5-12(16)6-3-11/h2-3,5-6,13,18H,4,7,9H2,1H3