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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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