(2-bromanyl-4,5-dimethoxy-phenyl)methyl pyrazine-2-carboxylate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl pyrazine-2-carboxylate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=NC=CN=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=NC=CN=C2)Br)OC

InChI

InChI=1S/C14H13BrN2O4/c1-19-12-5-9(10(15)6-13(12)20-2)8-21-14(18)11-7-16-3-4-17-11/h3-7H,8H2,1-2H3