2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]ethanenitrile; ethanedioic acid

Systemtic Name: 2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]ethanenitrile; ethanedioic acid Openeye Name: 2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]acetonitrile; oxalic acid CAS Name: 2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]acetonitrile; oxalic acid IUPAC Name: 2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]acetonitrile; oxalic acid Traditional Name: 2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]acetonitrile; oxalic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C=C(C=C2)CC#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)CC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H17N3.C2H2O4/c1-17(2)8-6-12-10-16-14-4-3-11(5-7-15)9-13(12)14;3-1(4)2(5)6/h3-4,9-10,16H,5-6,8H2,1-2H3;(H,3,4)(H,5,6)