3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]-5-methoxy-benzoate

Systemtic Name: 3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]-5-methoxy-benzoate Openeye Name: 3-bromo-4-[2-(diethylammonio)ethoxy]-5-methoxy-benzoate CAS Name: 3-bromo-4-[2-(diethylammonio)ethoxy]-5-methoxybenzoate IUPAC Name: 3-bromo-4-[2-(diethylazaniumyl)ethoxy]-5-methoxybenzoate Traditional Name: 3-bromo-4-[2-(diethylammonio)ethoxy]-5-methoxy-benzoate Formula: C14H20BrNO4 MolecularWeight: 346.2169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO4/c1-4-16(5-2)6-7-20-13-11(15)8-10(14(17)18)9-12(13)19-3/h8-9H,4-7H2,1-3H3,(H,17,18)