3-cyanopropyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: 3-cyanopropyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: 3-cyanopropyl 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)butanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)butyric acid 3-cyanopropyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCCCC#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCCCC#N

InChI

InChI=1S/C17H18N2O4/c1-12-6-7-13-14(11-12)17(22)19(16(13)21)9-4-5-15(20)23-10-3-2-8-18/h6-7,11H,2-5,9-10H2,1H3