2-[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-cyano-2-(3-nitrophenyl)vinyl]-2-iodo-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-iodo-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-iodo-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[2-cyano-2-(3-nitrophenyl)vinyl]-2-iodo-6-methoxy-phenoxy]acetic acid Formula: C18H13IN2O6 MolecularWeight: 480.21009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])I)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])I)OCC(=O)O

InChI

InChI=1S/C18H13IN2O6/c1-26-16-7-11(6-15(19)18(16)27-10-17(22)23)5-13(9-20)12-3-2-4-14(8-12)21(24)25/h2-8H,10H2,1H3,(H,22,23)