[2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-[1-(4-carbomethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H18BrNO6 MolecularWeight: 460.27472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H18BrNO6/c1-12-10-16(17(24)11-28-21(26)18-8-9-19(22)29-18)13(2)23(12)15-6-4-14(5-7-15)20(25)27-3/h4-10H,11H2,1-3H3