[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H20BrFN2O4 MolecularWeight: 463.296903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C21H20BrFN2O4/c1-12-3-5-16(7-13(12)2)25-10-14(8-20(25)27)21(28)29-11-19(26)24-18-6-4-15(22)9-17(18)23/h3-7,9,14H,8,10-11H2,1-2H3,(H,24,26)