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

Systemtic Name: 5-(4-bromanylphenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindole-1,3-dione Openeye Name: 5-(4-bromophenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindoline-1,3-dione CAS Name: 5-(4-bromophenoxy)-2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione IUPAC Name: 5-(4-bromophenoxy)-2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione Traditional Name: 5-(4-bromophenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindoline-1,3-quinone Formula: C21H13BrN2O6 MolecularWeight: 469.24172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H13BrN2O6/c1-29-14-7-9-18(19(11-14)24(27)28)23-20(25)16-8-6-15(10-17(16)21(23)26)30-13-4-2-12(22)3-5-13/h2-11H,1H3