[4-bromanyl-2-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-bromanyl-2-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl] furan-2-carboxylate Openeye Name: [4-bromo-2-[(E)-3-(p-tolyl)prop-2-enoyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-bromo-2-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-bromo-2-[(E)-3-(p-tolyl)acryloyl]phenyl] ester Formula: C21H15BrO4 MolecularWeight: 411.2454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3

InChI

InChI=1S/C21H15BrO4/c1-14-4-6-15(7-5-14)8-10-18(23)17-13-16(22)9-11-19(17)26-21(24)20-3-2-12-25-20/h2-13H,1H3/b10-8+