ethanedioic acid; 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-2-yn-1-one

Systemtic Name: ethanedioic acid; 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-2-yn-1-one Openeye Name: 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-2-yn-1-one; oxalic acid CAS Name: 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-butyn-1-one; oxalic acid IUPAC Name: 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-2-yn-1-one; oxalic acid Traditional Name: 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-2-yn-1-one; oxalic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)C1=CCN(CC1)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC#CC(=O)C1=CCN(CC1)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H13NO.C2H2O4/c1-3-4-10(12)9-5-7-11(2)8-6-9;3-1(4)2(5)6/h5H,6-8H2,1-2H3;(H,3,4)(H,5,6)