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

Systemtic Name: methyl 2-[(2-ethyl-1-oxidanyl-3-oxidanylidene-isoquinolin-4-yl)carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-3-22-18(24)13-9-5-4-8-12(13)16(19(22)25)17(23)21-15-11-7-6-10-14(15)20(26)27-2/h4-11,24H,3H2,1-2H3,(H,21,23)