2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methylidene]propanedioic acid

Systemtic Name: 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methylidene]propanedioic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]methylene]propanedioic acid CAS Name: 2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]methylidene]propanedioic acid IUPAC Name: 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methylidene]propanedioic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]methylene]malonic acid Formula: C14H16N2O6 MolecularWeight: 308.28664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C=C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C14H16N2O6/c1-14(2,3)22-13(21)16-10-5-4-8(7-15-10)6-9(11(17)18)12(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20)(H,15,16,21)