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

Systemtic Name: 2-methyl-3-[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: 2-methyl-3-[5-(4-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 2-methyl-3-[5-(4-nitrophenoxy)-1,3-dioxo-2-isoindolyl]benzoate IUPAC Name: 2-methyl-3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 3-[1,3-diketo-5-(4-nitrophenoxy)isoindolin-2-yl]-2-methyl-benzoate Formula: C22H13N2O7- MolecularWeight: 417.34782

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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=C(C=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=C(C=C4)[N+](=O)[O-])C(=O)[O-]

InChI

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