ethyl 3-isoquinolin-3-yl-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-isoquinolin-3-yl-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(3-isoquinolyl)-3-oxo-propanoate CAS Name: 3-(3-isoquinolinyl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-isoquinolin-3-yl-3-oxopropanoate Traditional Name: 3-(3-isoquinolyl)-3-keto-propionic acid ethyl ester Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO3/c1-2-18-14(17)8-13(16)12-7-10-5-3-4-6-11(10)9-15-12/h3-7,9H,2,8H2,1H3