dimethyl 2-but-3-ynyl-2-[2-(6-methyl-2-oxidanylidene-1H-pyridin-3-yl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: dimethyl 2-but-3-ynyl-2-[2-(6-methyl-2-oxidanylidene-1H-pyridin-3-yl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: dimethyl 2-but-3-ynyl-2-[2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-oxo-ethyl]propanedioate CAS Name: 2-but-3-ynyl-2-[2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-oxoethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-but-3-ynyl-2-[2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-oxoethyl]propanedioate Traditional Name: 2-but-3-ynyl-2-[2-keto-2-(2-keto-6-methyl-1H-pyridin-3-yl)ethyl]malonic acid dimethyl ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1)C(=O)CC(CCC#C)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C(=O)N1)C(=O)CC(CCC#C)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H19NO6/c1-5-6-9-17(15(21)23-3,16(22)24-4)10-13(19)12-8-7-11(2)18-14(12)20/h1,7-8H,6,9-10H2,2-4H3,(H,18,20)