methyl 3-isoquinolin-6-yl-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-isoquinolin-6-yl-3-oxidanylidene-propanoate Openeye Name: methyl 3-(6-isoquinolyl)-3-oxo-propanoate CAS Name: 3-(6-isoquinolinyl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-isoquinolin-6-yl-3-oxopropanoate Traditional Name: 3-(6-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=C(C=C1)C=NC=C2

Isomeric SMILES

COC(=O)CC(=O)C1=CC2=C(C=C1)C=NC=C2

InChI

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