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

Systemtic Name: [4-[2-[4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[4-(4-bromo-2-methyl-anilino)-4-oxo-butanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic 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] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[4-(4-bromo-2-methyl-anilino)-4-keto-butanoyl]oxyacetyl]phenyl] ester Formula: C26H21Br2NO6 MolecularWeight: 603.25604

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H21Br2NO6/c1-16-14-20(28)8-11-22(16)29-24(31)12-13-25(32)34-15-23(30)17-4-9-21(10-5-17)35-26(33)18-2-6-19(27)7-3-18/h2-11,14H,12-13,15H2,1H3,(H,29,31)