ethanedioic acid; 3-(4-methylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: ethanedioic acid; 3-(4-methylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 3-(4-methylpiperazin-1-yl)benzonitrile; oxalic acid CAS Name: 3-(4-methyl-1-piperazinyl)benzonitrile; oxalic acid IUPAC Name: 3-(4-methylpiperazin-1-yl)benzonitrile; oxalic acid Traditional Name: 3-(4-methylpiperazino)benzonitrile; oxalic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC(=C2)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC(=C2)C#N.C(=O)(C(=O)O)O

InChI

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