(Z)-3-[3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (Z)-3-[3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: (Z)-3-[3-bromo-4-[2-(diethylammonio)ethoxy]phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-bromo-4-[2-(diethylammonio)ethoxy]phenyl]-2-cyano-2-propenoate IUPAC Name: (Z)-3-[3-bromo-4-[2-(diethylazaniumyl)ethoxy]phenyl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-bromo-4-[2-(diethylammonio)ethoxy]phenyl]-2-cyano-acrylate Formula: C16H19BrN2O3 MolecularWeight: 367.23766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O3/c1-3-19(4-2)7-8-22-15-6-5-12(10-14(15)17)9-13(11-18)16(20)21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21)/b13-9-