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

Systemtic Name: [4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[2-(1,3-dioxoisoindolin-2-yl)ethyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[2-(1,3-dioxo-2-isoindolyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(2-phthalimidoethyl)phenyl] ester Formula: C23H16N2O6 MolecularWeight: 416.38294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O6/c26-21-19-6-1-2-7-20(19)22(27)24(21)13-12-15-8-10-18(11-9-15)31-23(28)16-4-3-5-17(14-16)25(29)30/h1-11,14H,12-13H2