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

Systemtic Name: ethyl 2-cyano-2-[1-cyano-2-[(4-iodophenyl)methyl]-3-oxidanylidene-isoindol-1-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[1-cyano-2-[(4-iodophenyl)methyl]-3-oxo-isoindolin-1-yl]acetate CAS Name: 2-cyano-2-[1-cyano-2-[(4-iodophenyl)methyl]-3-oxo-1-isoindolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[1-cyano-2-[(4-iodophenyl)methyl]-3-oxoisoindol-1-yl]acetate Traditional Name: 2-cyano-2-[1-cyano-2-(4-iodobenzyl)-3-keto-isoindolin-1-yl]acetic acid ethyl ester Formula: C21H16IN3O3 MolecularWeight: 485.27451

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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)I)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H16IN3O3/c1-2-28-20(27)18(11-23)21(13-24)17-6-4-3-5-16(17)19(26)25(21)12-14-7-9-15(22)10-8-14/h3-10,18H,2,12H2,1H3