2-bromanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-bromanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid Openeye Name: 2-bromo-4-(tert-butoxycarbonylamino)pyridine-3-carboxylic acid CAS Name: 2-bromo-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-bromo-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid Traditional Name: 2-bromo-4-(tert-butoxycarbonylamino)nicotinic acid Formula: C11H13BrN2O4 MolecularWeight: 317.13592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrN2O4/c1-11(2,3)18-10(17)14-6-4-5-13-8(12)7(6)9(15)16/h4-5H,1-3H3,(H,15,16)(H,13,14,17)