[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl] 3-(5-bromo-2-furyl)prop-2-enoate CAS Name: 3-(5-bromo-2-furanyl)-2-propenoic acid [2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: 3-(5-bromo-2-furyl)acrylic acid [2-[2,5-dimethyl-1-(p-tolyl)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(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C=CC3=CC=C(O3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C=CC3=CC=C(O3)Br)C

InChI

InChI=1S/C22H20BrNO4/c1-14-4-6-17(7-5-14)24-15(2)12-19(16(24)3)20(25)13-27-22(26)11-9-18-8-10-21(23)28-18/h4-12H,13H2,1-3H3