dimethyl 5-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1-keto-2-isoquinolyl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C21H18N2O6/c1-28-20(26)14-9-15(21(27)29-2)11-16(10-14)22-18(24)12-23-8-7-13-5-3-4-6-17(13)19(23)25/h3-11H,12H2,1-2H3,(H,22,24)