1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: 1-tert-butoxycarbonyl-2-hydroxy-3H-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 2-hydroxy-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3H-pyrrolo[2,3-b]pyridine-2-carboxylate IUPAC Name: 2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3H-pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-tert-butoxycarbonyl-2-hydroxy-3H-pyrrolo[2,3-b]pyridine-2-carboxylate Formula: C13H15N2O5- MolecularWeight: 279.2686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(CC1(C(=O)[O-])O)C=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(CC1(C(=O)[O-])O)C=CC=N2

InChI

InChI=1S/C13H16N2O5/c1-12(2,3)20-11(18)15-9-8(5-4-6-14-9)7-13(15,19)10(16)17/h4-6,19H,7H2,1-3H3,(H,16,17)/p-1