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

Systemtic Name: 2-[[5-chloranyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]prop-2-enoic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-5-chloro-3-pyridyl]methyl]prop-2-enoic acid CAS Name: 2-[[5-chloro-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]methyl]-2-propenoic acid IUPAC Name: 2-[[5-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]prop-2-enoic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-5-chloro-3-pyridyl]methyl]acrylic acid Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4/c1-8(12(18)19)5-9-6-10(15)11(16-7-9)17-13(20)21-14(2,3)4/h6-7H,1,5H2,2-4H3,(H,18,19)(H,16,17,20)