(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C18H17N3O5/c1-11(20)14(9-19)15(22)10-26-16(23)7-4-8-21-17(24)12-5-2-3-6-13(12)18(21)25/h2-3,5-6,14,20H,4,7-8,10H2,1H3