ethanedioic acid; 2-(1-methyl-5-pyridin-3-yl-pyrrolidin-2-yl)ethanenitrile

Systemtic Name: ethanedioic acid; 2-(1-methyl-5-pyridin-3-yl-pyrrolidin-2-yl)ethanenitrile Openeye Name: 2-[1-methyl-5-(3-pyridyl)pyrrolidin-2-yl]acetonitrile; oxalic acid CAS Name: 2-[1-methyl-5-(3-pyridinyl)-2-pyrrolidinyl]acetonitrile; oxalic acid IUPAC Name: 2-(1-methyl-5-pyridin-3-ylpyrrolidin-2-yl)acetonitrile; oxalic acid Traditional Name: 2-[1-methyl-5-(3-pyridyl)pyrrolidin-2-yl]acetonitrile; oxalic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCC1C2=CN=CC=C2)CC#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(CCC1C2=CN=CC=C2)CC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H15N3.C2H2O4/c1-15-11(6-7-13)4-5-12(15)10-3-2-8-14-9-10;3-1(4)2(5)6/h2-3,8-9,11-12H,4-6H2,1H3;(H,3,4)(H,5,6)