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

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (3-phthalimidophenyl) ester Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N2O6/c1-13-9-10-14(11-19(13)24(28)29)22(27)30-16-6-4-5-15(12-16)23-20(25)17-7-2-3-8-18(17)21(23)26/h2-12H,1H3