4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 2-hydroxy-4-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 2-hydroxy-4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 4-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]-2-hydroxy-benzoic acid Formula: C22H12N2O8 MolecularWeight: 432.33928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H12N2O8/c25-18-10-13(5-7-16(18)22(29)30)23-20(27)15-6-4-12(9-17(15)21(23)28)19(26)11-2-1-3-14(8-11)24(31)32/h1-10,25H,(H,29,30)