2-(3-bromanyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid

Systemtic Name: 2-(3-bromanyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid Openeye Name: 2-(3-bromo-4-hydroxy-phenyl)-2-(tert-butoxycarbonylamino)acetic acid CAS Name: 2-(3-bromo-4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-(3-bromo-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid Traditional Name: 2-(3-bromo-4-hydroxy-phenyl)-2-(tert-butoxycarbonylamino)acetic acid Formula: C13H16BrNO5 MolecularWeight: 346.17384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO5/c1-13(2,3)20-12(19)15-10(11(17)18)7-4-5-9(16)8(14)6-7/h4-6,10,16H,1-3H3,(H,15,19)(H,17,18)