(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[4-(phenylcarbonyl)phenoxy]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[4-(phenylcarbonyl)phenoxy]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-benzoylphenoxy)acetate CAS Name: 2-(4-benzoylphenoxy)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(4-benzoylphenoxy)acetate Traditional Name: 2-(4-benzoylphenoxy)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H18N2O5/c1-14(23)18(11-22)19(24)12-28-20(25)13-27-17-9-7-16(8-10-17)21(26)15-5-3-2-4-6-15/h2-10,18,23H,12-13H2,1H3