2-(1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)isoindoline-1,3-quinone Formula: C21H12N2O7 MolecularWeight: 404.32918

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H12N2O7/c24-20-16-7-6-15(30-14-4-1-12(2-5-14)23(26)27)10-17(16)21(25)22(20)13-3-8-18-19(9-13)29-11-28-18/h1-10H,11H2