ethyl 2-(2-butyl-1-cyano-3-oxidanylidene-isoindol-1-yl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(2-butyl-1-cyano-3-oxidanylidene-isoindol-1-yl)-2-cyano-ethanoate Openeye Name: ethyl 2-(2-butyl-1-cyano-3-oxo-isoindolin-1-yl)-2-cyano-acetate CAS Name: 2-(2-butyl-1-cyano-3-oxo-1-isoindolyl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(2-butyl-1-cyano-3-oxoisoindol-1-yl)-2-cyanoacetate Traditional Name: 2-(2-butyl-1-cyano-3-keto-isoindolin-1-yl)-2-cyano-acetic acid ethyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C1(C#N)C(C#N)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C1(C#N)C(C#N)C(=O)OCC

InChI

InChI=1S/C18H19N3O3/c1-3-5-10-21-16(22)13-8-6-7-9-14(13)18(21,12-20)15(11-19)17(23)24-4-2/h6-9,15H,3-5,10H2,1-2H3