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

Systemtic Name: methyl 4-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: methyl 4-(5-amino-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-amino-1,3-dioxo-2-isoindolyl)butanoic acid methyl ester IUPAC Name: methyl 4-(5-amino-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(5-amino-1,3-diketo-isoindolin-2-yl)butyric acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)N

Isomeric SMILES

COC(=O)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)N

InChI

InChI=1S/C13H14N2O4/c1-19-11(16)3-2-6-15-12(17)9-5-4-8(14)7-10(9)13(15)18/h4-5,7H,2-3,6,14H2,1H3