[2-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate

Systemtic Name: [2-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: [2-(4-bromo-3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: 4-oxo-4-(4-phenoxyanilino)butanoic acid [2-(4-bromo-3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-chloro-2-methylanilino)-2-oxoethyl] 4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: 4-keto-4-(4-phenoxyanilino)butyric acid [2-(4-bromo-3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C25H22BrClN2O5 MolecularWeight: 545.80958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1Cl)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H22BrClN2O5/c1-16-21(12-11-20(26)25(16)27)29-23(31)15-33-24(32)14-13-22(30)28-17-7-9-19(10-8-17)34-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,28,30)(H,29,31)