[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C19H17BrN2O4/c1-12-6-17(13(2)22(12)10-16-4-3-5-25-16)18(23)11-26-19(24)14-7-15(20)9-21-8-14/h3-9H,10-11H2,1-2H3