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

Systemtic Name: ethyl 2-[(2-ethyl-1-oxidanyl-3-oxidanylidene-isoquinolin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 2-[(2-ethyl-1-hydroxy-3-oxo-isoquinoline-4-carbonyl)amino]benzoate CAS Name: 2-[[(2-ethyl-1-hydroxy-3-oxo-4-isoquinolinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethyl-1-hydroxy-3-oxoisoquinoline-4-carbonyl)amino]benzoate Traditional Name: 2-[(2-ethyl-1-hydroxy-3-keto-isoquinoline-4-carbonyl)amino]benzoic acid ethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC=CC2=C(C1=O)C(=O)NC3=CC=CC=C3C(=O)OCC)O

Isomeric SMILES

CCN1C(=C2C=CC=CC2=C(C1=O)C(=O)NC3=CC=CC=C3C(=O)OCC)O

InChI

InChI=1S/C21H20N2O5/c1-3-23-19(25)14-10-6-5-9-13(14)17(20(23)26)18(24)22-16-12-8-7-11-15(16)21(27)28-4-2/h5-12,25H,3-4H2,1-2H3,(H,22,24)