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

Systemtic Name: 3-[5-(3-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 3-[5-(3-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 3-[5-(3-nitrophenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 3-[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)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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