(3-fluoranyl-4-methoxy-phenyl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C13H11BrFNO3 MolecularWeight: 328.133743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=CN2)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=CN2)Br)F

InChI

InChI=1S/C13H11BrFNO3/c1-18-12-3-2-8(4-10(12)15)7-19-13(17)11-5-9(14)6-16-11/h2-6,16H,7H2,1H3