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

Systemtic Name: 2-[4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]benzoate Openeye Name: 2-[4-(4-nitro-1,3-dioxo-isoindolin-2-yl)phenyl]benzoate CAS Name: 2-[4-(4-nitro-1,3-dioxo-2-isoindolyl)phenyl]benzoate IUPAC Name: 2-[4-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl]benzoate Traditional Name: 2-[4-(1,3-diketo-4-nitro-isoindolin-2-yl)phenyl]benzoate Formula: C21H11N2O6- MolecularWeight: 387.32184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H12N2O6/c24-19-16-6-3-7-17(23(28)29)18(16)20(25)22(19)13-10-8-12(9-11-13)14-4-1-2-5-15(14)21(26)27/h1-11H,(H,26,27)/p-1