[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 5-bromobenzofuran-2-carboxylate CAS Name: 5-bromo-2-benzofurancarboxylic acid [4-[(2,4-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 5-bromo-1-benzofuran-2-carboxylate Traditional Name: 5-bromocoumarilic acid [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] ester Formula: C24H18BrNO4 MolecularWeight: 464.30802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C

InChI

InChI=1S/C24H18BrNO4/c1-14-3-9-20(15(2)11-14)26-23(27)16-4-7-19(8-5-16)29-24(28)22-13-17-12-18(25)6-10-21(17)30-22/h3-13H,1-2H3,(H,26,27)