ethyl (E)-3-[2-[2-(4-bromanylphenoxy)ethoxy]-5-nitro-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-[2-(4-bromanylphenoxy)ethoxy]-5-nitro-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[2-[2-(4-bromophenoxy)ethoxy]-5-nitro-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-[2-(4-bromophenoxy)ethoxy]-5-nitrophenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[2-(4-bromophenoxy)ethoxy]-5-nitrophenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-[2-(4-bromophenoxy)ethoxy]-5-nitro-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C20H17BrN2O6 MolecularWeight: 461.26278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])OCCOC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C=CC(=C1)[N+](=O)[O-])OCCOC2=CC=C(C=C2)Br)/C#N

InChI

InChI=1S/C20H17BrN2O6/c1-2-27-20(24)15(13-22)11-14-12-17(23(25)26)5-8-19(14)29-10-9-28-18-6-3-16(21)4-7-18/h3-8,11-12H,2,9-10H2,1H3/b15-11+