3-[3-(1,3-benzodioxol-5-yl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=O)C(=NN3)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=O)C(=NN3)CCC(=O)O

InChI

InChI=1S/C13H11N3O5/c17-11(18)4-2-8-13(19)14-12(16-15-8)7-1-3-9-10(5-7)21-6-20-9/h1,3,5H,2,4,6H2,(H,17,18)(H,14,16,19)