methyl 3-isoquinolin-3-yl-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-isoquinolin-3-yl-3-oxidanylidene-propanoate Openeye Name: methyl 3-(3-isoquinolyl)-3-oxo-propanoate CAS Name: 3-(3-isoquinolinyl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-isoquinolin-3-yl-3-oxopropanoate Traditional Name: 3-(3-isoquinolyl)-3-keto-propionic acid methyl ester Formula: C13H11NO3 MolecularWeight: 229.23134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C1=CC2=CC=CC=C2C=N1

Isomeric SMILES

COC(=O)CC(=O)C1=CC2=CC=CC=C2C=N1

InChI

InChI=1S/C13H11NO3/c1-17-13(16)7-12(15)11-6-9-4-2-3-5-10(9)8-14-11/h2-6,8H,7H2,1H3