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

Systemtic Name: 4-[5-(3-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 4-[5-(3-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 4-[5-(3-nitrophenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 4-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 4-[1,3-diketo-5-(3-nitrophenoxy)isoindolin-2-yl]benzoic acid Formula: C21H12N2O7 MolecularWeight: 404.32918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H12N2O7/c24-19-17-9-8-16(30-15-3-1-2-14(10-15)23(28)29)11-18(17)20(25)22(19)13-6-4-12(5-7-13)21(26)27/h1-11H,(H,26,27)