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

Systemtic Name: 2-[5-(2,4-dinitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 2-[5-(2,4-dinitrophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 2-[5-(2,4-dinitrophenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 2-[5-(2,4-dinitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 2-[5-(2,4-dinitrophenoxy)-1,3-diketo-isoindolin-2-yl]benzoic acid Formula: C21H11N3O9 MolecularWeight: 449.32674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O9/c25-19-13-7-6-12(33-18-8-5-11(23(29)30)9-17(18)24(31)32)10-15(13)20(26)22(19)16-4-2-1-3-14(16)21(27)28/h1-10H,(H,27,28)