methyl (E)-3-oxidanylidene-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: methyl (E)-3-oxidanylidene-7-pyridin-3-yl-hept-6-enoate Openeye Name: methyl (E)-3-oxo-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-3-oxo-7-(3-pyridinyl)-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-3-oxo-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-3-keto-7-(3-pyridyl)hept-6-enoic acid methyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CCC=CC1=CN=CC=C1

Isomeric SMILES

COC(=O)CC(=O)CC/C=C/C1=CN=CC=C1

InChI

InChI=1S/C13H15NO3/c1-17-13(16)9-12(15)7-3-2-5-11-6-4-8-14-10-11/h2,4-6,8,10H,3,7,9H2,1H3/b5-2+