2-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(1H-imidazol-1-ium-4-yl)propanoate

Systemtic Name: 2-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(1H-imidazol-1-ium-4-yl)propanoate Openeye Name: 2-(5-carboxy-1,3-dioxo-isoindolin-2-yl)-3-(1H-imidazol-1-ium-4-yl)propanoate CAS Name: 2-(5-carboxy-1,3-dioxo-2-isoindolyl)-3-(1H-imidazol-1-ium-4-yl)propanoate IUPAC Name: 2-(5-carboxy-1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-1-ium-4-yl)propanoate Traditional Name: 2-(5-carboxy-1,3-diketo-isoindolin-2-yl)-3-(1H-imidazol-1-ium-4-yl)propionate Formula: C15H11N3O6 MolecularWeight: 329.26434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C(CC3=C[NH2+]C=N3)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C(CC3=C[NH2+]C=N3)C(=O)[O-]

InChI

InChI=1S/C15H11N3O6/c19-12-9-2-1-7(14(21)22)3-10(9)13(20)18(12)11(15(23)24)4-8-5-16-6-17-8/h1-3,5-6,11H,4H2,(H,16,17)(H,21,22)(H,23,24)