3,5-bis(chloranyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-3,5-dichloro-benzoic acid CAS Name: 3,5-dichloro-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-3,5-dichloro-benzoic acid Formula: C12H13Cl2NO4 MolecularWeight: 306.14192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1Cl)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1Cl)C(=O)O)Cl

InChI

InChI=1S/C12H13Cl2NO4/c1-12(2,3)19-11(18)15-9-7(13)4-6(10(16)17)5-8(9)14/h4-5H,1-3H3,(H,15,18)(H,16,17)