3-(6-bromanyl-2,3-dimethoxy-phenyl)-2-cyano-propanoic acid

Systemtic Name: 3-(6-bromanyl-2,3-dimethoxy-phenyl)-2-cyano-propanoic acid Openeye Name: 3-(6-bromo-2,3-dimethoxy-phenyl)-2-cyano-propanoic acid CAS Name: 3-(6-bromo-2,3-dimethoxyphenyl)-2-cyanopropanoic acid IUPAC Name: 3-(6-bromo-2,3-dimethoxyphenyl)-2-cyanopropanoic acid Traditional Name: 3-(6-bromo-2,3-dimethoxy-phenyl)-2-cyano-propionic acid Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)CC(C#N)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)CC(C#N)C(=O)O)OC

InChI

InChI=1S/C12H12BrNO4/c1-17-10-4-3-9(13)8(11(10)18-2)5-7(6-14)12(15)16/h3-4,7H,5H2,1-2H3,(H,15,16)