2-[2-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(5-methylol-1H-1,2,4-triazol-3-yl)ethyl]isoindoline-1,3-quinone Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NNC(=N3)CO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NNC(=N3)CO

InChI

InChI=1S/C13H12N4O3/c18-7-11-14-10(15-16-11)5-6-17-12(19)8-3-1-2-4-9(8)13(17)20/h1-4,18H,5-7H2,(H,14,15,16)