6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 2-keto-6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-1H-pyridine-3-carboxylic acid Formula: C17H13NO4 MolecularWeight: 295.28942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC=CC2=CC=C(C(=O)N2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C#C/C=C/C2=CC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C17H13NO4/c1-22-14-9-6-12(7-10-14)4-2-3-5-13-8-11-15(17(20)21)16(19)18-13/h3,5-11H,1H3,(H,18,19)(H,20,21)/b5-3+