1-(3-nitrophenyl)ethyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: 1-(3-nitrophenyl)ethyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: 1-(3-nitrophenyl)ethyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-phthalimido-butyric acid 1-(3-nitrophenyl)ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O6/c1-12(2)18(22-19(24)16-9-4-5-10-17(16)20(22)25)21(26)29-13(3)14-7-6-8-15(11-14)23(27)28/h4-13,18H,1-3H3/t13?,18-/m0/s1