4-[[5-[bis(2-hydroxyethyl)amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-[bis(2-hydroxyethyl)amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-[bis(2-hydroxyethyl)amino]-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[bis(2-hydroxyethyl)amino]-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[bis(2-hydroxyethyl)amino]pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[bis(2-hydroxyethyl)amino]-2-pyridyl]amino]-4-keto-butyrate Formula: C13H18N3O5- MolecularWeight: 296.29912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1N(CCO)CCO)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1N(CCO)CCO)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H19N3O5/c17-7-5-16(6-8-18)10-1-2-11(14-9-10)15-12(19)3-4-13(20)21/h1-2,9,17-18H,3-8H2,(H,20,21)(H,14,15,19)/p-1