(4-nitrophenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-oxidanylidene-hexanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-oxidanylidene-hexanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-6-oxo-hexanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-6-oxohexanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-6-oxohexanoate Traditional Name: (2S)-6-keto-2-phthalimido-hexanoic acid (4-nitrobenzyl) ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCCC=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCCC=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7/c24-12-4-3-7-18(22-19(25)16-5-1-2-6-17(16)20(22)26)21(27)30-13-14-8-10-15(11-9-14)23(28)29/h1-2,5-6,8-12,18H,3-4,7,13H2/t18-/m0/s1