[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-(3-bromophenyl)prop-2-enoate CAS Name: 3-(3-bromophenyl)-2-propenoic 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] 3-(3-bromophenyl)prop-2-enoate Traditional Name: 3-(3-bromophenyl)acrylic acid [2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H20BrNO4 MolecularWeight: 442.3025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C=CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H20BrNO4/c1-15-11-20(16(2)24(15)13-19-7-4-10-27-19)21(25)14-28-22(26)9-8-17-5-3-6-18(23)12-17/h3-12H,13-14H2,1-2H3