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

Systemtic Name: 6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-6-[(E)-4-(4-methoxyphenyl)but-1-en-3-ynyl]-1H-pyridine-3-carbonitrile Formula: C17H12N2O2 MolecularWeight: 276.28938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O2/c1-21-16-10-6-13(7-11-16)4-2-3-5-15-9-8-14(12-18)17(20)19-15/h3,5-11H,1H3,(H,19,20)/b5-3+