ethanedioic acid; 2-[2-(phenylmethyl)iminopyrrolidin-1-yl]ethanenitrile

Systemtic Name: ethanedioic acid; 2-[2-(phenylmethyl)iminopyrrolidin-1-yl]ethanenitrile Openeye Name: 2-(2-benzyliminopyrrolidin-1-yl)acetonitrile; oxalic acid CAS Name: oxalic acid; 2-[2-(phenylmethyl)imino-1-pyrrolidinyl]acetonitrile IUPAC Name: 2-(2-benzyliminopyrrolidin-1-yl)acetonitrile; oxalic acid Traditional Name: 2-(2-benzyliminopyrrolidino)acetonitrile; oxalic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NCC2=CC=CC=C2)N(C1)CC#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(=NCC2=CC=CC=C2)N(C1)CC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H15N3.C2H2O4/c14-8-10-16-9-4-7-13(16)15-11-12-5-2-1-3-6-12;3-1(4)2(5)6/h1-3,5-6H,4,7,9-11H2;(H,3,4)(H,5,6)