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

Systemtic Name: [4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-[2-(1,3-dioxoisoindolin-2-yl)ethyl]phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-[2-(1,3-dioxo-2-isoindolyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-(2-phthalimidoethyl)phenyl] ester Formula: C24H18N2O6 MolecularWeight: 430.40952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)CCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)CCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O6/c1-15-14-17(8-11-21(15)26(30)31)24(29)32-18-9-6-16(7-10-18)12-13-25-22(27)19-4-2-3-5-20(19)23(25)28/h2-11,14H,12-13H2,1H3