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

Systemtic Name: ethanedioic acid; 3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazol-5-yl]amino]propanenitrile Openeye Name: 3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)isoxazol-5-yl]amino]propanenitrile; oxalic acid CAS Name: 3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-isoxazolyl]amino]propanenitrile; oxalic acid IUPAC Name: 3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazol-5-yl]amino]propanenitrile; oxalic acid Traditional Name: 3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)isoxazol-5-yl]amino]propionitrile; oxalic acid Formula: C14H18N4O5 MolecularWeight: 322.31652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O.C2H2O4/c1-16-7-2-4-10(9-16)11-8-15-17-12(11)14-6-3-5-13;3-1(4)2(5)6/h4,8,14H,2-3,6-7,9H2,1H3;(H,3,4)(H,5,6)