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

Systemtic Name: pentyl 2-[[(4-bromophenyl)amino]methyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: pentyl 2-[(4-bromoanilino)methyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[(4-bromoanilino)methyl]-1,3-dioxo-5-isoindolecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[(4-bromoanilino)methyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[(4-bromoanilino)methyl]-1,3-diketo-isoindoline-5-carboxylic acid amyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CNC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CNC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c1-2-3-4-11-28-21(27)14-5-10-17-18(12-14)20(26)24(19(17)25)13-23-16-8-6-15(22)7-9-16/h5-10,12,23H,2-4,11,13H2,1H3