1,3-bis(oxidanylidene)-2-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxylic acid Openeye Name: 1,3-dioxo-2-[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-2-[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-2-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]isoindoline-5-carboxylic acid Formula: C16H9N5O4 MolecularWeight: 335.27376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C16H9N5O4/c22-13-10-4-3-8(15(24)25)6-11(10)14(23)21(13)16-18-12(19-20-16)9-2-1-5-17-7-9/h1-7H,(H,24,25)(H,18,19,20)