2-[2-bromanyl-4-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[2-bromanyl-4-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxy-phenoxy]ethanoate Openeye Name: 2-[2-bromo-4-[(E)-2-cyano-2-(3-nitrophenyl)vinyl]-6-methoxy-phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxyphenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxyphenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-2-cyano-2-(3-nitrophenyl)vinyl]-6-methoxy-phenoxy]acetate Formula: C18H12BrN2O6- MolecularWeight: 432.20168

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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-])Br)OCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O6/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)/p-1/b13-5-