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

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-propan-2-yl-isoindole-5-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 2-isopropyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-propan-2-yl-5-isoindolecarboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 1,3-dioxo-2-propan-2-ylisoindole-5-carboxylate Traditional Name: 2-isopropyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C21H19BrN2O5/c1-11(2)24-19(26)16-9-4-13(10-17(16)20(24)27)21(28)29-12(3)18(25)23-15-7-5-14(22)6-8-15/h4-12H,1-3H3,(H,23,25)