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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C19H17BrFNO4 MolecularWeight: 422.244983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)Br

InChI

InChI=1S/C19H17BrFNO4/c1-12-10-15(6-7-16(12)20)22-18(24)11-26-19(25)9-8-17(23)13-2-4-14(21)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,22,24)