ethyl 2-[5,6-bis(chloranyl)-1-cyano-3-oxidanylidene-2-propyl-isoindol-1-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[5,6-bis(chloranyl)-1-cyano-3-oxidanylidene-2-propyl-isoindol-1-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-cyano-2-(5,6-dichloro-1-cyano-3-oxo-2-propyl-isoindolin-1-yl)acetate CAS Name: 2-cyano-2-(5,6-dichloro-1-cyano-3-oxo-2-propyl-1-isoindolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(5,6-dichloro-1-cyano-3-oxo-2-propylisoindol-1-yl)acetate Traditional Name: 2-cyano-2-(5,6-dichloro-1-cyano-3-keto-2-propyl-isoindolin-1-yl)acetic acid ethyl ester Formula: C17H15Cl2N3O3 MolecularWeight: 380.2253

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC(=C(C=C2C1(C#N)C(C#N)C(=O)OCC)Cl)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC(=C(C=C2C1(C#N)C(C#N)C(=O)OCC)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O3/c1-3-5-22-15(23)10-6-13(18)14(19)7-11(10)17(22,9-21)12(8-20)16(24)25-4-2/h6-7,12H,3-5H2,1-2H3