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

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

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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)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O

InChI

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