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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C15H12BrNO5 MolecularWeight: 366.16348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO5/c1-8(18)9-2-12(17-5-9)15(19)20-6-10-3-13-14(4-11(10)16)22-7-21-13/h2-5,17H,6-7H2,1H3