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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H14N2O7/c1-12-16(22(27)28)6-3-7-19(12)23-20(25)17-9-8-15(11-18(17)21(23)26)31-14-5-2-4-13(10-14)24(29)30/h2-11H,1H3,(H,27,28)