2-[2-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[2-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-phenyl]ethanoic acid Openeye Name: 2-[5-(tert-butoxycarbonylamino)-2-iodo-4-nitro-phenyl]acetic acid CAS Name: 2-[2-iodo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitrophenyl]acetic acid IUPAC Name: 2-[2-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitrophenyl]acetic acid Traditional Name: 2-[5-(tert-butoxycarbonylamino)-2-iodo-4-nitro-phenyl]acetic acid Formula: C13H15IN2O6 MolecularWeight: 422.17247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)CC(=O)O)I)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)CC(=O)O)I)[N+](=O)[O-]

InChI

InChI=1S/C13H15IN2O6/c1-13(2,3)22-12(19)15-9-4-7(5-11(17)18)8(14)6-10(9)16(20)21/h4,6H,5H2,1-3H3,(H,15,19)(H,17,18)