4-oxidanylidene-3,5-bis(2-phenylethynyl)-1H-pyridine-2,6-dicarboxylic acid

Systemtic Name: 4-oxidanylidene-3,5-bis(2-phenylethynyl)-1H-pyridine-2,6-dicarboxylic acid Openeye Name: 4-oxo-3,5-bis(2-phenylethynyl)-1H-pyridine-2,6-dicarboxylic acid CAS Name: 4-oxo-3,5-bis(2-phenylethynyl)-1H-pyridine-2,6-dicarboxylic acid IUPAC Name: 4-oxo-3,5-bis(2-phenylethynyl)-1H-pyridine-2,6-dicarboxylic acid Traditional Name: 4-keto-3,5-bis(2-phenylethynyl)-1H-pyridine-2,6-dicarboxylic acid Formula: C23H13NO5 MolecularWeight: 383.35302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H13NO5/c25-21-17(13-11-15-7-3-1-4-8-15)19(22(26)27)24-20(23(28)29)18(21)14-12-16-9-5-2-6-10-16/h1-10H,(H,24,25)(H,26,27)(H,28,29)