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

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: (4-cyano-2-methoxy-phenyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid (4-cyano-2-methoxy-phenyl) ester Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C24H18N2O5/c1-30-20-13-15(14-25)10-11-19(20)31-21(27)9-4-12-26-23(28)17-7-2-5-16-6-3-8-18(22(16)17)24(26)29/h2-3,5-8,10-11,13H,4,9,12H2,1H3