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

Systemtic Name: (3,4-dimethylphenyl) 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (3,4-dimethylphenyl) 4-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(5-nitro-1,3-dioxo-2-isoindolyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)benzoic acid (3,4-dimethylphenyl) ester Formula: C23H16N2O6 MolecularWeight: 416.38294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H16N2O6/c1-13-3-9-18(11-14(13)2)31-23(28)15-4-6-16(7-5-15)24-21(26)19-10-8-17(25(29)30)12-20(19)22(24)27/h3-12H,1-2H3