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

Systemtic Name: 2-[2-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-phenyl]propanedioic acid Openeye Name: 2-[5-(tert-butoxycarbonylamino)-2-iodo-4-nitro-phenyl]propanedioic acid CAS Name: 2-[2-iodo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitrophenyl]propanedioic acid IUPAC Name: 2-[2-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitrophenyl]propanedioic acid Traditional Name: 2-[5-(tert-butoxycarbonylamino)-2-iodo-4-nitro-phenyl]malonic acid Formula: C14H15IN2O8 MolecularWeight: 466.18197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15IN2O8/c1-14(2,3)25-13(22)16-8-4-6(10(11(18)19)12(20)21)7(15)5-9(8)17(23)24/h4-5,10H,1-3H3,(H,16,22)(H,18,19)(H,20,21)