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

Systemtic Name: 2-[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxy-6-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-cyano-2-(3-nitrophenyl)vinyl]-2-ethoxy-6-iodo-phenoxy]acetic acid CAS Name: 2-[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxy-6-iodophenoxy]acetic acid IUPAC Name: 2-[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxy-6-iodophenoxy]acetic acid Traditional Name: 2-[4-[2-cyano-2-(3-nitrophenyl)vinyl]-2-ethoxy-6-iodo-phenoxy]acetic acid Formula: C19H15IN2O6 MolecularWeight: 494.23667

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])I)OCC(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])I)OCC(=O)O

InChI

InChI=1S/C19H15IN2O6/c1-2-27-17-8-12(7-16(20)19(17)28-11-18(23)24)6-14(10-21)13-4-3-5-15(9-13)22(25)26/h3-9H,2,11H2,1H3,(H,23,24)