3-[5-(2-hydroxyethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid

Systemtic Name: 3-[5-(2-hydroxyethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid Openeye Name: 3-[5-(2-hydroxyethyl)-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid CAS Name: 3-[5-(2-hydroxyethyl)-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid IUPAC Name: 3-[5-(2-hydroxyethyl)-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid Traditional Name: 3-[5-(2-hydroxyethyl)-3-keto-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propionic acid Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CCO

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CCO

InChI

InChI=1S/C14H14N4O4/c19-8-7-17-10-3-1-2-4-11(10)18-14(17)15-13(22)9(16-18)5-6-12(20)21/h1-4,19H,5-8H2,(H,20,21)