2-nitro-4-[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: 2-nitro-4-[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: 2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-2-isoindolyl]benzoate IUPAC Name: 2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[1,3-diketo-5-(4-nitrophenoxy)isoindolin-2-yl]-2-nitro-benzoate Formula: C21H10N3O9- MolecularWeight: 448.3188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O9/c25-19-15-8-6-14(33-13-4-1-11(2-5-13)23(29)30)10-17(15)20(26)22(19)12-3-7-16(21(27)28)18(9-12)24(31)32/h1-10H,(H,27,28)/p-1