[4-[2-[4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-[2-[4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] furan-2-carboxylate Openeye Name: [4-[2-[4-(4-bromo-2-methyl-anilino)-4-oxo-butanoyl]oxyacetyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[2-[4-(4-bromo-2-methylanilino)-1,4-dioxobutoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(4-bromo-2-methylanilino)-4-oxobutanoyl]oxyacetyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[2-[4-(4-bromo-2-methyl-anilino)-4-keto-butanoyl]oxyacetyl]phenyl] ester Formula: C24H20BrNO7 MolecularWeight: 514.3221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrNO7/c1-15-13-17(25)6-9-19(15)26-22(28)10-11-23(29)32-14-20(27)16-4-7-18(8-5-16)33-24(30)21-3-2-12-31-21/h2-9,12-13H,10-11,14H2,1H3,(H,26,28)