methyl 6,7-dimethoxy-1-oxidanylidene-4-pyridin-4-yl-2H-isoquinoline-3-carboxylate

Systemtic Name: methyl 6,7-dimethoxy-1-oxidanylidene-4-pyridin-4-yl-2H-isoquinoline-3-carboxylate Openeye Name: methyl 6,7-dimethoxy-1-oxo-4-(4-pyridyl)-2H-isoquinoline-3-carboxylate CAS Name: 6,7-dimethoxy-1-oxo-4-pyridin-4-yl-2H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6,7-dimethoxy-1-oxo-4-pyridin-4-yl-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-6,7-dimethoxy-4-(4-pyridyl)-2H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(NC2=O)C(=O)OC)C3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(NC2=O)C(=O)OC)C3=CC=NC=C3)OC

InChI

InChI=1S/C18H16N2O5/c1-23-13-8-11-12(9-14(13)24-2)17(21)20-16(18(22)25-3)15(11)10-4-6-19-7-5-10/h4-9H,1-3H3,(H,20,21)