ethanedioic acid; 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazol-5-yl]amino]ethanenitrile

Systemtic Name: ethanedioic acid; 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazol-5-yl]amino]ethanenitrile Openeye Name: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)isoxazol-5-yl]amino]acetonitrile; oxalic acid CAS Name: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-isoxazolyl]amino]acetonitrile; oxalic acid IUPAC Name: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazol-5-yl]amino]acetonitrile; oxalic acid Traditional Name: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)isoxazol-5-yl]amino]acetonitrile; oxalic acid Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=C(ON=C2)NCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC=C(C1)C2=C(ON=C2)NCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H14N4O.C2H2O4/c1-15-6-2-3-9(8-15)10-7-14-16-11(10)13-5-4-12;3-1(4)2(5)6/h3,7,13H,2,5-6,8H2,1H3;(H,3,4)(H,5,6)