2-acetamido-3-[3,5-bis(iodanyl)-2-[(4-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3,5-bis(iodanyl)-2-[(4-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-hydroxy-3,5-diiodo-2-[(4-nitrophenyl)methoxy]phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-hydroxy-3,5-diiodo-2-[(4-nitrophenyl)methoxy]phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-hydroxy-3,5-diiodo-2-[(4-nitrophenyl)methoxy]phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-hydroxy-3,5-diiodo-2-(4-nitrobenzyl)oxy-phenyl]propionic acid Formula: C18H16I2N2O7 MolecularWeight: 626.13778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])I)O)I)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])I)O)I)C(=O)O

InChI

InChI=1S/C18H16I2N2O7/c1-9(23)21-14(18(25)26)7-11-6-13(19)16(24)15(20)17(11)29-8-10-2-4-12(5-3-10)22(27)28/h2-6,14,24H,7-8H2,1H3,(H,21,23)(H,25,26)