5-bromanyl-2-(5-nitro-2-oxidanyl-phenyl)isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-(5-nitro-2-oxidanyl-phenyl)isoindole-1,3-dione Openeye Name: 5-bromo-2-(2-hydroxy-5-nitro-phenyl)isoindoline-1,3-dione CAS Name: 5-bromo-2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione IUPAC Name: 5-bromo-2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione Traditional Name: 5-bromo-2-(2-hydroxy-5-nitro-phenyl)isoindoline-1,3-quinone Formula: C14H7BrN2O5 MolecularWeight: 363.11978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)Br)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)Br)O

InChI

InChI=1S/C14H7BrN2O5/c15-7-1-3-9-10(5-7)14(20)16(13(9)19)11-6-8(17(21)22)2-4-12(11)18/h1-6,18H