[(1S)-1-(4-nitrophenyl)-2-[(1S)-3-oxidanylidene-1,2-dihydroisoindol-1-yl]ethyl] benzoate

Systemtic Name: [(1S)-1-(4-nitrophenyl)-2-[(1S)-3-oxidanylidene-1,2-dihydroisoindol-1-yl]ethyl] benzoate Openeye Name: [(1S)-1-(4-nitrophenyl)-2-[(1S)-3-oxoisoindolin-1-yl]ethyl] benzoate CAS Name: benzoic acid [(1S)-1-(4-nitrophenyl)-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]ethyl] ester IUPAC Name: [(1S)-1-(4-nitrophenyl)-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]ethyl] benzoate Traditional Name: benzoic acid [(1S)-2-[(1S)-3-ketoisoindolin-1-yl]-1-(4-nitrophenyl)ethyl] ester Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CC2C3=CC=CC=C3C(=O)N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H](C[C@H]2C3=CC=CC=C3C(=O)N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O5/c26-22-19-9-5-4-8-18(19)20(24-22)14-21(15-10-12-17(13-11-15)25(28)29)30-23(27)16-6-2-1-3-7-16/h1-13,20-21H,14H2,(H,24,26)/t20-,21-/m0/s1