2-[4-(4-bromanylphenoxy)phenyl]-5-nitro-isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC4=CC=C(C=C4)Br

InChI

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