5-(4-bromanylphenoxy)-2-(3-nitrophenyl)isoindole-1,3-dione

Systemtic Name: 5-(4-bromanylphenoxy)-2-(3-nitrophenyl)isoindole-1,3-dione Openeye Name: 5-(4-bromophenoxy)-2-(3-nitrophenyl)isoindoline-1,3-dione CAS Name: 5-(4-bromophenoxy)-2-(3-nitrophenyl)isoindole-1,3-dione IUPAC Name: 5-(4-bromophenoxy)-2-(3-nitrophenyl)isoindole-1,3-dione Traditional Name: 5-(4-bromophenoxy)-2-(3-nitrophenyl)isoindoline-1,3-quinone Formula: C20H11BrN2O5 MolecularWeight: 439.21574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H11BrN2O5/c21-12-4-6-15(7-5-12)28-16-8-9-17-18(11-16)20(25)22(19(17)24)13-2-1-3-14(10-13)23(26)27/h1-11H