methyl 1-oxidanylidene-2-(pyridin-4-ylcarbonylamino)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-(pyridin-4-ylcarbonylamino)isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-(pyridine-4-carbonylamino)isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[oxo(pyridin-4-yl)methyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-(pyridine-4-carbonylamino)isoquinoline-4-carboxylate Traditional Name: 2-isonicotinamido-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H13N3O4/c1-24-17(23)14-10-20(16(22)13-5-3-2-4-12(13)14)19-15(21)11-6-8-18-9-7-11/h2-10H,1H3,(H,19,21)