(2-bromanyl-4,5-dimethoxy-phenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C18H20BrNO5 MolecularWeight: 410.2591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C18H20BrNO5/c1-9-16(11(3)21)10(2)20-17(9)18(22)25-8-12-6-14(23-4)15(24-5)7-13(12)19/h6-7,20H,8H2,1-5H3