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

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 3-(5-nitro-1,3-dioxo-2-isoindolyl)benzoate IUPAC Name: 3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)benzoate Formula: C15H7N2O6- MolecularWeight: 311.22588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8N2O6/c18-13-11-5-4-10(17(22)23)7-12(11)14(19)16(13)9-3-1-2-8(6-9)15(20)21/h1-7H,(H,20,21)/p-1