(4-bromanyl-2,5-dimethoxy-phenyl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid (4-bromo-2,5-dimethoxyphenyl)methyl ester IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid (4-bromo-2,5-dimethoxy-benzyl) ester Formula: C17H18BrNO5 MolecularWeight: 396.23252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC2=CC(=C(C=C2OC)Br)OC)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC2=CC(=C(C=C2OC)Br)OC)C

InChI

InChI=1S/C17H18BrNO5/c1-10(20)11-5-14(19(2)8-11)17(21)24-9-12-6-16(23-4)13(18)7-15(12)22-3/h5-8H,9H2,1-4H3