[2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate Openeye Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-(furan-2-carbonylamino)acetate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]acetic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate Traditional Name: 2-(2-furoylamino)acetic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)CNC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C21H19BrN2O5/c1-13-9-17(14(2)24(13)16-6-3-5-15(22)10-16)18(25)12-29-20(26)11-23-21(27)19-7-4-8-28-19/h3-10H,11-12H2,1-2H3,(H,23,27)