(2-bromanyl-4,5-diethoxy-phenyl)methyl 4-cyanobenzoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 4-cyanobenzoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC=C(C=C2)C#N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC=C(C=C2)C#N)Br)OCC

InChI

InChI=1S/C19H18BrNO4/c1-3-23-17-9-15(16(20)10-18(17)24-4-2)12-25-19(22)14-7-5-13(11-21)6-8-14/h5-10H,3-4,12H2,1-2H3