2-[(E)-hydroxyiminomethyl]-2-(pyridin-2-ylmethyl)piperazine-1,4-dicarboxylic acid

Systemtic Name: 2-[(E)-hydroxyiminomethyl]-2-(pyridin-2-ylmethyl)piperazine-1,4-dicarboxylic acid Openeye Name: 2-[(E)-hydroxyiminomethyl]-2-(2-pyridylmethyl)piperazine-1,4-dicarboxylic acid CAS Name: 2-[(E)-hydroxyiminomethyl]-2-(2-pyridinylmethyl)piperazine-1,4-dicarboxylic acid IUPAC Name: 2-[(E)-hydroxyiminomethyl]-2-(pyridin-2-ylmethyl)piperazine-1,4-dicarboxylic acid Traditional Name: 2-[(E)-hydroximinomethyl]-2-(2-pyridylmethyl)piperazine-1,4-dicarboxylic acid Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)O)(CC2=CC=CC=N2)C=NO)C(=O)O

Isomeric SMILES

C1CN(C(CN1C(=O)O)(CC2=CC=CC=N2)/C=N/O)C(=O)O

InChI

InChI=1S/C13H16N4O5/c18-11(19)16-5-6-17(12(20)21)13(9-16,8-15-22)7-10-3-1-2-4-14-10/h1-4,8,22H,5-7,9H2,(H,18,19)(H,20,21)/b15-8+