ethyl 2-(5-chloranyl-1-cyano-2-methyl-3-oxidanylidene-isoindol-1-yl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(5-chloranyl-1-cyano-2-methyl-3-oxidanylidene-isoindol-1-yl)-2-cyano-ethanoate Openeye Name: ethyl 2-(5-chloro-1-cyano-2-methyl-3-oxo-isoindolin-1-yl)-2-cyano-acetate CAS Name: 2-(5-chloro-1-cyano-2-methyl-3-oxo-1-isoindolyl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(5-chloro-1-cyano-2-methyl-3-oxoisoindol-1-yl)-2-cyanoacetate Traditional Name: 2-(5-chloro-1-cyano-3-keto-2-methyl-isoindolin-1-yl)-2-cyano-acetic acid ethyl ester Formula: C15H12ClN3O3 MolecularWeight: 317.72708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=C(C=C(C=C2)Cl)C(=O)N1C)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=C(C=C(C=C2)Cl)C(=O)N1C)C#N

InChI

InChI=1S/C15H12ClN3O3/c1-3-22-14(21)12(7-17)15(8-18)11-5-4-9(16)6-10(11)13(20)19(15)2/h4-6,12H,3H2,1-2H3