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

Systemtic Name: 2-(4-methoxy-2-nitro-phenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(4-methoxy-2-nitro-phenyl)-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(4-methoxy-2-nitro-phenyl)-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C21H13N3O8 MolecularWeight: 435.34322

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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=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H13N3O8/c1-31-13-6-8-18(19(11-13)24(29)30)22-20(25)16-7-5-15(10-17(16)21(22)26)32-14-4-2-3-12(9-14)23(27)28/h2-11H,1H3