4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name: 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoic acid CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid IUPAC Name: 4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoic acid Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid Formula: C15H8N2O6 MolecularWeight: 312.23382

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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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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