ethyl 2-cyano-2-[1-cyano-2-[(3,4-dichlorophenyl)methyl]-3-oxidanylidene-isoindol-1-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[1-cyano-2-[(3,4-dichlorophenyl)methyl]-3-oxidanylidene-isoindol-1-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[1-cyano-2-[(3,4-dichlorophenyl)methyl]-3-oxo-isoindolin-1-yl]acetate CAS Name: 2-cyano-2-[1-cyano-2-[(3,4-dichlorophenyl)methyl]-3-oxo-1-isoindolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[1-cyano-2-[(3,4-dichlorophenyl)methyl]-3-oxoisoindol-1-yl]acetate Traditional Name: 2-cyano-2-[1-cyano-2-(3,4-dichlorobenzyl)-3-keto-isoindolin-1-yl]acetic acid ethyl ester Formula: C21H15Cl2N3O3 MolecularWeight: 428.2681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C21H15Cl2N3O3/c1-2-29-20(28)16(10-24)21(12-25)15-6-4-3-5-14(15)19(27)26(21)11-13-7-8-17(22)18(23)9-13/h3-9,16H,2,11H2,1H3