(Z)-3-[5-bromanyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (Z)-3-[5-bromanyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: (Z)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]-2-cyano-2-propenoate IUPAC Name: (Z)-3-[5-bromo-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]-2-cyano-acrylate Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1)Br)/C=C(/C#N)\C(=O)[O-]

InChI

InChI=1S/C14H15BrN2O3/c1-17(2)5-6-20-13-4-3-12(15)8-10(13)7-11(9-16)14(18)19/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)/b11-7-