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

Systemtic Name: 2-[2-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-phenyl]sulfanylethanoic acid Openeye Name: 2-[5-(tert-butoxycarbonylamino)-2-iodo-4-nitro-phenyl]sulfanylacetic acid CAS Name: 2-[[2-iodo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitrophenyl]thio]acetic acid IUPAC Name: 2-[2-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitrophenyl]sulfanylacetic acid Traditional Name: 2-[[5-(tert-butoxycarbonylamino)-2-iodo-4-nitro-phenyl]thio]acetic acid Formula: C13H15IN2O6S MolecularWeight: 454.23747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15IN2O6S/c1-13(2,3)22-12(19)15-8-5-10(23-6-11(17)18)7(14)4-9(8)16(20)21/h4-5H,6H2,1-3H3,(H,15,19)(H,17,18)