3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Systemtic Name: 3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-3-(methylamino)benzoic acid CAS Name: 3-(methylamino)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid IUPAC Name: 3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-3-(methylamino)benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-9-6-5-8(11(16)17)7-10(9)14-4/h5-7,14H,1-4H3,(H,15,18)(H,16,17)