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

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (4-bromo-2,5-dimethoxyphenyl)methyl ester IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (4-bromo-2,5-dimethoxy-benzyl) ester Formula: C16H16BrNO5 MolecularWeight: 382.20594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO5/c1-9(19)10-4-13(18-7-10)16(20)23-8-11-5-15(22-3)12(17)6-14(11)21-2/h4-7,18H,8H2,1-3H3