methyl 6-oxidanylidene-1-[3-(pyridin-4-ylcarbonylamino)propyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-oxidanylidene-1-[3-(pyridin-4-ylcarbonylamino)propyl]pyridine-3-carboxylate Openeye Name: methyl 6-oxo-1-[3-(pyridine-4-carbonylamino)propyl]pyridine-3-carboxylate CAS Name: 6-oxo-1-[3-[[oxo(pyridin-4-yl)methyl]amino]propyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-oxo-1-[3-(pyridine-4-carbonylamino)propyl]pyridine-3-carboxylate Traditional Name: 1-(3-isonicotinamidopropyl)-6-keto-nicotinic acid methyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C=C1)CCCNC(=O)C2=CC=NC=C2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C=C1)CCCNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H17N3O4/c1-23-16(22)13-3-4-14(20)19(11-13)10-2-7-18-15(21)12-5-8-17-9-6-12/h3-6,8-9,11H,2,7,10H2,1H3,(H,18,21)