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

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-phthalimidophenyl) ester Formula: C22H13N3O8 MolecularWeight: 447.35392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O8/c1-12-18(24(29)30)10-13(11-19(12)25(31)32)22(28)33-15-8-6-14(7-9-15)23-20(26)16-4-2-3-5-17(16)21(23)27/h2-11H,1H3