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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C24H16N2O7 MolecularWeight: 444.39304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H16N2O7/c1-14-9-10-15(12-20(14)26(31)32)21(27)13-33-24(30)16-5-4-6-17(11-16)25-22(28)18-7-2-3-8-19(18)23(25)29/h2-12H,13H2,1H3