methyl 7-(2-oxidanylidene-3,4-dihydropyridin-1-yl)hept-2-ynoate

Systemtic Name: methyl 7-(2-oxidanylidene-3,4-dihydropyridin-1-yl)hept-2-ynoate Openeye Name: methyl 7-(2-oxo-3,4-dihydropyridin-1-yl)hept-2-ynoate CAS Name: 7-(2-oxo-3,4-dihydropyridin-1-yl)-2-heptynoic acid methyl ester IUPAC Name: methyl 7-(2-oxo-3,4-dihydropyridin-1-yl)hept-2-ynoate Traditional Name: 7-(2-keto-3,4-dihydropyridin-1-yl)hept-2-ynoic acid methyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCCCN1C=CCCC1=O

Isomeric SMILES

COC(=O)C#CCCCCN1C=CCCC1=O

InChI

InChI=1S/C13H17NO3/c1-17-13(16)9-4-2-3-6-10-14-11-7-5-8-12(14)15/h7,11H,2-3,5-6,8,10H2,1H3