ethyl 4-(1-oxidanyl-3-oxidanylidene-isoquinolin-2-yl)benzoate

Systemtic Name: ethyl 4-(1-oxidanyl-3-oxidanylidene-isoquinolin-2-yl)benzoate Openeye Name: ethyl 4-(1-hydroxy-3-oxo-2-isoquinolyl)benzoate CAS Name: 4-(1-hydroxy-3-oxo-2-isoquinolinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(1-hydroxy-3-oxoisoquinolin-2-yl)benzoate Traditional Name: 4-(1-hydroxy-3-keto-2-isoquinolyl)benzoic acid ethyl ester Formula: C18H15NO4 MolecularWeight: 309.316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C3C=CC=CC3=C2O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C3C=CC=CC3=C2O

InChI

InChI=1S/C18H15NO4/c1-2-23-18(22)12-7-9-14(10-8-12)19-16(20)11-13-5-3-4-6-15(13)17(19)21/h3-11,21H,2H2,1H3