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

Systemtic Name: 4-[[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid Openeye Name: 4-[[5-(4-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]methyl]benzoic acid CAS Name: 4-[[5-(4-nitrophenoxy)-1,3-dioxo-2-isoindolyl]methyl]benzoic acid IUPAC Name: 4-[[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]methyl]benzoic acid Traditional Name: 4-[[1,3-diketo-5-(4-nitrophenoxy)isoindolin-2-yl]methyl]benzoic acid Formula: C22H14N2O7 MolecularWeight: 418.35576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H14N2O7/c25-20-18-10-9-17(31-16-7-5-15(6-8-16)24(29)30)11-19(18)21(26)23(20)12-13-1-3-14(4-2-13)22(27)28/h1-11H,12H2,(H,27,28)