2-[[5-chloranyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[5-chloranyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]propanedioic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-5-chloro-3-pyridyl]methyl]propanedioic acid CAS Name: 2-[[5-chloro-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]methyl]propanedioic acid IUPAC Name: 2-[[5-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]propanedioic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-5-chloro-3-pyridyl]methyl]malonic acid Formula: C14H17ClN2O6 MolecularWeight: 344.74758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=N1)CC(C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=N1)CC(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C14H17ClN2O6/c1-14(2,3)23-13(22)17-10-9(15)5-7(6-16-10)4-8(11(18)19)12(20)21/h5-6,8H,4H2,1-3H3,(H,18,19)(H,20,21)(H,16,17,22)