isoquinolin-5-yl 6-methyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: isoquinolin-5-yl 6-methyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 5-isoquinolyl 6-methyl-2-oxo-chromene-3-carboxylate CAS Name: 6-methyl-2-oxo-1-benzopyran-3-carboxylic acid 5-isoquinolinyl ester IUPAC Name: isoquinolin-5-yl 6-methyl-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-methyl-chromene-3-carboxylic acid 5-isoquinolyl ester Formula: C20H13NO4 MolecularWeight: 331.32152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H13NO4/c1-12-5-6-17-14(9-12)10-16(19(22)24-17)20(23)25-18-4-2-3-13-11-21-8-7-15(13)18/h2-11H,1H3