dibutyl 2-[[[5-(2-methylpyridin-4-yl)-2-oxidanylidene-1H-pyridin-3-yl]amino]methylidene]propanedioate

Systemtic Name: dibutyl 2-[[[5-(2-methylpyridin-4-yl)-2-oxidanylidene-1H-pyridin-3-yl]amino]methylidene]propanedioate Openeye Name: dibutyl 2-[[[5-(2-methyl-4-pyridyl)-2-oxo-1H-pyridin-3-yl]amino]methylene]propanedioate CAS Name: 2-[[[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]amino]methylidene]propanedioic acid dibutyl ester IUPAC Name: dibutyl 2-[[[5-(2-methylpyridin-4-yl)-2-oxo-1H-pyridin-3-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[2-keto-5-(2-methyl-4-pyridyl)-1H-pyridin-3-yl]amino]methylene]malonic acid dibutyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CNC1=CC(=CNC1=O)C2=CC(=NC=C2)C)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C(=CNC1=CC(=CNC1=O)C2=CC(=NC=C2)C)C(=O)OCCCC

InChI

InChI=1S/C23H29N3O5/c1-4-6-10-30-22(28)19(23(29)31-11-7-5-2)15-25-20-13-18(14-26-21(20)27)17-8-9-24-16(3)12-17/h8-9,12-15,25H,4-7,10-11H2,1-3H3,(H,26,27)