1-(3-ethynyl-2-phenyl-phenyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 1-(3-ethynyl-2-phenyl-phenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 1-(3-ethynyl-2-phenyl-phenyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 1-(3-ethynyl-2-phenylphenyl)-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 1-(3-ethynyl-2-phenylphenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 1-(3-ethynyl-2-phenyl-phenyl)-4H-pyridine-3,5-dicarboxylic acid Formula: C21H15NO4 MolecularWeight: 345.3481

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC=C1)N2C=C(CC(=C2)C(=O)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C#CC1=C(C(=CC=C1)N2C=C(CC(=C2)C(=O)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H15NO4/c1-2-14-9-6-10-18(19(14)15-7-4-3-5-8-15)22-12-16(20(23)24)11-17(13-22)21(25)26/h1,3-10,12-13H,11H2,(H,23,24)(H,25,26)