(5-bromanyl-2-cyano-1-benzofuran-3-yl)methyl 3,4-dimethylbenzoate

Systemtic Name: (5-bromanyl-2-cyano-1-benzofuran-3-yl)methyl 3,4-dimethylbenzoate Openeye Name: (5-bromo-2-cyano-benzofuran-3-yl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid (5-bromo-2-cyano-3-benzofuranyl)methyl ester IUPAC Name: (5-bromo-2-cyano-1-benzofuran-3-yl)methyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (5-bromo-2-cyano-benzofuran-3-yl)methyl ester Formula: C19H14BrNO3 MolecularWeight: 384.22336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C(OC3=C2C=C(C=C3)Br)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(OC3=C2C=C(C=C3)Br)C#N)C

InChI

InChI=1S/C19H14BrNO3/c1-11-3-4-13(7-12(11)2)19(22)23-10-16-15-8-14(20)5-6-17(15)24-18(16)9-21/h3-8H,10H2,1-2H3