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

Systemtic Name: 3-chloranyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid Openeye Name: 4-[(tert-butoxycarbonylamino)methyl]-3-chloro-benzoic acid CAS Name: 3-chloro-4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 3-chloro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]-3-chloro-benzoic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=C(C=C1)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=C(C=C1)C(=O)O)Cl

InChI

InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-7-9-5-4-8(11(16)17)6-10(9)14/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)