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

Systemtic Name: 3,5-bis[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: 3,5-bis(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 3,5-bis(4-nitro-1,3-dioxo-2-isoindolyl)benzoate IUPAC Name: 3,5-bis(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3,5-bis(1,3-diketo-4-nitro-isoindolin-2-yl)benzoate Formula: C23H9N4O10- MolecularWeight: 501.33836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)[O-])N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)[O-])N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H10N4O10/c28-19-13-3-1-5-15(26(34)35)17(13)21(30)24(19)11-7-10(23(32)33)8-12(9-11)25-20(29)14-4-2-6-16(27(36)37)18(14)22(25)31/h1-9H,(H,32,33)/p-1