2-[3-[(4-bromophenyl)amino]-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(4-bromophenyl)amino]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-bromoanilino)-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-(4-bromoanilino)-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-bromoanilino)-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-bromoanilino)-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C17H15BrN2O3 MolecularWeight: 375.2166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CNC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CNC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H15BrN2O3/c18-11-5-7-12(8-6-11)19-9-13(21)10-20-16(22)14-3-1-2-4-15(14)17(20)23/h1-8,13,19,21H,9-10H2