(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C16H14BrNO5 MolecularWeight: 380.19006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H14BrNO5/c1-9(19)10-4-13(18-7-10)16(20)23-8-11-5-14-15(6-12(11)17)22-3-2-21-14/h4-7,18H,2-3,8H2,1H3