(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(4-acetyloxyphenyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic 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)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5/c1-13(23)19(11-22)20(25)12-27-21(26)17-5-3-15(4-6-17)16-7-9-18(10-8-16)28-14(2)24/h3-10,19,23H,12H2,1-2H3