(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H14FNO5 MolecularWeight: 319.284463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC2=C3C(=CC(=C2)F)COCO3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC2=C3C(=CC(=C2)F)COCO3

InChI

InChI=1S/C16H14FNO5/c1-9(19)10-4-14(18-5-10)16(20)22-7-12-3-13(17)2-11-6-21-8-23-15(11)12/h2-5,18H,6-8H2,1H3