2-[[6-(2-carboxylato-3-oxidanidyl-3-oxidanylidene-propyl)-5-piperazin-1-yl-pyridin-2-yl]methyl]propanedioate

Systemtic Name: 2-[[6-(2-carboxylato-3-oxidanidyl-3-oxidanylidene-propyl)-5-piperazin-1-yl-pyridin-2-yl]methyl]propanedioate Openeye Name: 2-[[6-(2-carboxylato-3-oxido-3-oxo-propyl)-5-piperazin-1-yl-2-pyridyl]methyl]propanedioate CAS Name: 2-[[6-(2-carboxylato-3-oxido-3-oxopropyl)-5-(1-piperazinyl)-2-pyridinyl]methyl]propanedioate IUPAC Name: 2-[[6-(2-carboxylato-3-oxido-3-oxopropyl)-5-piperazin-1-ylpyridin-2-yl]methyl]propanedioate Traditional Name: 2-[[6-(2-carboxylato-3-keto-3-oxido-propyl)-5-piperazino-2-pyridyl]methyl]malonate Formula: C17H17N3O8-4 MolecularWeight: 391.33218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(N=C(C=C2)CC(C(=O)[O-])C(=O)[O-])CC(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(N=C(C=C2)CC(C(=O)[O-])C(=O)[O-])CC(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H21N3O8/c21-14(22)10(15(23)24)7-9-1-2-13(20-5-3-18-4-6-20)12(19-9)8-11(16(25)26)17(27)28/h1-2,10-11,18H,3-8H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)/p-4