2-[4-(cyanomethyl)-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(cyanomethyl)-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(cyanomethyl)-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-(cyanomethyl)-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(cyanomethyl)-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-(cyanomethyl)-2-keto-piperazino]acetic acid Formula: C8H11N3O3 MolecularWeight: 197.19124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC#N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1CC#N)CC(=O)O

InChI

InChI=1S/C8H11N3O3/c9-1-2-10-3-4-11(6-8(13)14)7(12)5-10/h2-6H2,(H,13,14)