3-[5-azaniumyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: 3-[5-azaniumyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 3-(5-azaniumyl-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-ammonio-1,3-dioxo-2-isoindolyl)propanoate IUPAC Name: 3-(5-azaniumyl-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(5-ammonio-1,3-diketo-isoindolin-2-yl)propionate Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[NH3+])C(=O)N(C2=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[NH3+])C(=O)N(C2=O)CCC(=O)[O-]

InChI

InChI=1S/C11H10N2O4/c12-6-1-2-7-8(5-6)11(17)13(10(7)16)4-3-9(14)15/h1-2,5H,3-4,12H2,(H,14,15)