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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C22H19N3O5/c1-13(24)17(11-23)18(26)12-30-19(27)9-4-10-25-21(28)15-7-2-5-14-6-3-8-16(20(14)15)22(25)29/h2-3,5-8,17,24H,4,9-10,12H2,1H3