2-(3,4-dihydroisoquinolin-1-yl)ethanenitrile; ethanedioic acid

Systemtic Name: 2-(3,4-dihydroisoquinolin-1-yl)ethanenitrile; ethanedioic acid Openeye Name: 2-(3,4-dihydroisoquinolin-1-yl)acetonitrile; oxalic acid CAS Name: 2-(3,4-dihydroisoquinolin-1-yl)acetonitrile; oxalic acid IUPAC Name: 2-(3,4-dihydroisoquinolin-1-yl)acetonitrile; oxalic acid Traditional Name: 2-(3,4-dihydroisoquinolin-1-yl)acetonitrile; oxalic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)CC#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)CC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H10N2.C2H2O4/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11;3-1(4)2(5)6/h1-4H,5-6,8H2;(H,3,4)(H,5,6)