[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H18BrFN2O5 MolecularWeight: 477.280423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H18BrFN2O5/c1-2-3-8-25-19(27)14-6-4-12(9-15(14)20(25)28)21(29)30-11-18(26)24-17-7-5-13(22)10-16(17)23/h4-7,9-10H,2-3,8,11H2,1H3,(H,24,26)