(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H14BrNO5 MolecularWeight: 380.19006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)C

InChI

InChI=1S/C16H14BrNO5/c1-9(19)10-3-13(18(2)6-10)16(20)21-7-11-4-14-15(5-12(11)17)23-8-22-14/h3-6H,7-8H2,1-2H3