5-[1,3-bis(oxidanylidene)-5-(2-pyridin-3-ylethynyl)inden-2-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)-5-(2-pyridin-3-ylethynyl)inden-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[1,3-dioxo-5-[2-(3-pyridyl)ethynyl]indan-2-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[1,3-dioxo-5-[2-(3-pyridinyl)ethynyl]-2-indenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[1,3-dioxo-5-(2-pyridin-3-ylethynyl)inden-2-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[1,3-diketo-5-[2-(3-pyridyl)ethynyl]indan-2-yl]isophthalic acid Formula: C24H13NO6 MolecularWeight: 411.36312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C#CC2=CC3=C(C=C2)C(=O)C(C3=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C#CC2=CC3=C(C=C2)C(=O)C(C3=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C24H13NO6/c26-21-18-6-5-13(3-4-14-2-1-7-25-12-14)8-19(18)22(27)20(21)15-9-16(23(28)29)11-17(10-15)24(30)31/h1-2,5-12,20H,(H,28,29)(H,30,31)