methyl 3-oxidanylidene-3-pyridin-3-yl-propanoate dihydrochloride

Systemtic Name: methyl 3-oxidanylidene-3-pyridin-3-yl-propanoate dihydrochloride Openeye Name: methyl 3-oxo-3-(3-pyridyl)propanoate dihydrochloride CAS Name: 3-oxo-3-(3-pyridinyl)propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-oxo-3-pyridin-3-ylpropanoate dihydrochloride Traditional Name: 3-keto-3-(3-pyridyl)propionic acid methyl ester dihydrochloride Formula: C9H11Cl2NO3 MolecularWeight: 252.09454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C1=CN=CC=C1.Cl.Cl

Isomeric SMILES

COC(=O)CC(=O)C1=CN=CC=C1.Cl.Cl

InChI

InChI=1S/C9H9NO3.2ClH/c1-13-9(12)5-8(11)7-3-2-4-10-6-7;;/h2-4,6H,5H2,1H3;2*1H