4-[[5-[(2-methyl-1-oxidanyl-propan-2-yl)amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-[(2-methyl-1-oxidanyl-propan-2-yl)amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-2-pyridyl]amino]-4-keto-butyrate Formula: C13H18N3O4- MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC1=CN=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC(C)(CO)NC1=CN=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-13(2,8-17)16-9-3-4-10(14-7-9)15-11(18)5-6-12(19)20/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,19,20)(H,14,15,18)/p-1