dimethyl 2-fluoranyl-1-phenyl-5-(2-phenylethynyl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-fluoranyl-1-phenyl-5-(2-phenylethynyl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-fluoro-1-phenyl-5-(2-phenylethynyl)pyrrole-3,4-dicarboxylate CAS Name: 2-fluoro-1-phenyl-5-(2-phenylethynyl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-fluoro-1-phenyl-5-(2-phenylethynyl)pyrrole-3,4-dicarboxylate Traditional Name: 2-fluoro-1-phenyl-5-(2-phenylethynyl)pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C22H16FNO4 MolecularWeight: 377.365143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=C1C(=O)OC)F)C2=CC=CC=C2)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N(C(=C1C(=O)OC)F)C2=CC=CC=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H16FNO4/c1-27-21(25)18-17(14-13-15-9-5-3-6-10-15)24(16-11-7-4-8-12-16)20(23)19(18)22(26)28-2/h3-12H,1-2H3