2-isoquinolin-7-ylethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate

Systemtic Name: 2-isoquinolin-7-ylethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate Openeye Name: 2-(7-isoquinolyl)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-(7-isoquinolinyl)ethyl ester IUPAC Name: 2-isoquinolin-7-ylethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate Traditional Name: 2-keto-2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)acetic acid 2-(7-isoquinolyl)ethyl ester Formula: C19H13NO4 MolecularWeight: 319.31082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)O2)C(=O)C(=O)OCCC3=CC4=C(C=C3)C=CN=C4

Isomeric SMILES

C1=CC(=C2C(=C1)O2)C(=O)C(=O)OCCC3=CC4=C(C=C3)C=CN=C4

InChI

InChI=1S/C19H13NO4/c21-17(15-2-1-3-16-18(15)24-16)19(22)23-9-7-12-4-5-13-6-8-20-11-14(13)10-12/h1-6,8,10-11H,7,9H2