(Z)-3-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (Z)-3-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: (Z)-3-[3-bromo-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-bromo-4-[2-(dimethylammonio)ethoxy]-5-methoxyphenyl]-2-cyano-2-propenoate IUPAC Name: (Z)-3-[3-bromo-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-bromo-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-2-cyano-acrylate Formula: C15H17BrN2O4 MolecularWeight: 369.21048

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Br)/C=C(/C#N)\C(=O)[O-])OC

InChI

InChI=1S/C15H17BrN2O4/c1-18(2)4-5-22-14-12(16)7-10(8-13(14)21-3)6-11(9-17)15(19)20/h6-8H,4-5H2,1-3H3,(H,19,20)/b11-6-