ethanedioic acid; 3-(pyridin-4-ylmethylamino)propanenitrile

Systemtic Name: ethanedioic acid; 3-(pyridin-4-ylmethylamino)propanenitrile Openeye Name: oxalic acid; 3-(4-pyridylmethylamino)propanenitrile CAS Name: oxalic acid; 3-(pyridin-4-ylmethylamino)propanenitrile IUPAC Name: oxalic acid; 3-(pyridin-4-ylmethylamino)propanenitrile Traditional Name: oxalic acid; 3-(4-pyridylmethylamino)propionitrile Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNCCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CN=CC=C1CNCCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C9H11N3.C2H2O4/c10-4-1-5-12-8-9-2-6-11-7-3-9;3-1(4)2(5)6/h2-3,6-7,12H,1,5,8H2;(H,3,4)(H,5,6)