[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 1,3-dioxo-2-sec-butyl-isoindoline-5-carboxylate CAS Name: 2-butan-2-yl-1,3-dioxo-5-isoindolecarboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-butan-2-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-sec-butyl-isoindoline-5-carboxylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN2O5/c1-4-12(2)25-20(27)17-10-5-14(11-18(17)21(25)28)22(29)30-13(3)19(26)24-16-8-6-15(23)7-9-16/h5-13H,4H2,1-3H3,(H,24,26)