[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C14H11BrFNO4 MolecularWeight: 356.143843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrFNO4/c1-20-13-3-2-8(4-10(13)16)12(18)7-21-14(19)11-5-9(15)6-17-11/h2-6,17H,7H2,1H3