2-[(2-methylpropan-2-yl)oxycarbonylamino]terephthalic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]terephthalic acid Openeye Name: 2-(tert-butoxycarbonylamino)terephthalic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]terephthalic acid Traditional Name: 2-(tert-butoxycarbonylamino)terephthalic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-13(2,3)20-12(19)14-9-6-7(10(15)16)4-5-8(9)11(17)18/h4-6H,1-3H3,(H,14,19)(H,15,16)(H,17,18)