2-(3-methylimidazol-3-ium-1-yl)ethyl 2-oxidanyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-oxidanyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-hydroxy-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-hydroxy-1,3-dioxo-5-isoindolecarboxylic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-hydroxy-1,3-diketo-isoindoline-5-carboxylic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester Formula: C15H14N3O5+ MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)O

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)O

InChI

InChI=1S/C15H14N3O5/c1-16-4-5-17(9-16)6-7-23-15(21)10-2-3-11-12(8-10)14(20)18(22)13(11)19/h2-5,8-9,22H,6-7H2,1H3/q+1