1-[2-(1-oxidanylidenephthalazin-2-yl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(1-oxidanylidenephthalazin-2-yl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(1-oxo-2-phthalazinyl)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(1-ketophthalazin-2-yl)ethyl]triazole-4-carboxylic acid Formula: C13H11N5O3 MolecularWeight: 285.25814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCN3C=C(N=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCN3C=C(N=N3)C(=O)O

InChI

InChI=1S/C13H11N5O3/c19-12-10-4-2-1-3-9(10)7-14-18(12)6-5-17-8-11(13(20)21)15-16-17/h1-4,7-8H,5-6H2,(H,20,21)