4-(azanylidynemethyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid

Systemtic Name: 4-(azanylidynemethyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-(nitridomethyl)butanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(nitrilomethyl)butanoic acid IUPAC Name: 4-(azanylidynemethyl)-2-(1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: 2-(1,3-diketoisoindolin-2-yl)-4-(nitrilomethyl)butyric acid Formula: C13H10N2O4 MolecularWeight: 260.215564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[15N](C2=O)C(CC[13C]#N)C(=O)O

InChI

InChI=1S/C13H10N2O4/c14-7-3-6-10(13(18)19)15-11(16)8-4-1-2-5-9(8)12(15)17/h1-2,4-5,10H,3,6H2,(H,18,19)/i7+1,15+1