2-[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-1,3-diketo-isoindoline-5-carboxylic acid 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=CN=CN3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C(CC3=CN=CN3)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)