methyl (8E)-7-oxidanylidene-8-(1H-pyridin-2-ylidene)oct-2-ynoate

Systemtic Name: methyl (8E)-7-oxidanylidene-8-(1H-pyridin-2-ylidene)oct-2-ynoate Openeye Name: methyl (8E)-7-oxo-8-(1H-pyridin-2-ylidene)oct-2-ynoate CAS Name: (8E)-7-oxo-8-(1H-pyridin-2-ylidene)-2-octynoic acid methyl ester IUPAC Name: methyl (8E)-7-oxo-8-(1H-pyridin-2-ylidene)oct-2-ynoate Traditional Name: (8E)-7-keto-8-(1H-pyridin-2-ylidene)oct-2-ynoic acid methyl ester Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCCC(=O)C=C1C=CC=CN1

Isomeric SMILES

COC(=O)C#CCCCC(=O)/C=C/1\C=CC=CN1

InChI

InChI=1S/C14H15NO3/c1-18-14(17)9-4-2-3-8-13(16)11-12-7-5-6-10-15-12/h5-7,10-11,15H,2-3,8H2,1H3/b12-11+