2-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 2-(tert-butoxycarbonylamino)benzene-1,3-dicarboxylic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 2-(tert-butoxycarbonylamino)isophthalic 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=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC=C1C(=O)O)C(=O)O

InChI

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