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

Systemtic Name: 4-[5-(3-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[5-(3-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 2-hydroxy-4-[5-(3-nitrophenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 2-hydroxy-4-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 4-[1,3-diketo-5-(3-nitrophenoxy)isoindolin-2-yl]-2-hydroxy-benzoic acid Formula: C21H12N2O8 MolecularWeight: 420.32858

Click to see the large picture

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)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)O)[N+](=O)[O-]

InChI

InChI=1S/C21H12N2O8/c24-18-9-11(4-6-16(18)21(27)28)22-19(25)15-7-5-14(10-17(15)20(22)26)31-13-3-1-2-12(8-13)23(29)30/h1-10,24H,(H,27,28)