methyl (2S)-2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxy]propanoate

Systemtic Name: methyl (2S)-2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxy]propanoate Openeye Name: methyl (2S)-2-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]oxypropanoate CAS Name: (2S)-2-[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethoxy]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]oxypropanoate Traditional Name: (2S)-2-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]oxypropionic acid methyl ester Formula: C14H12N2O8 MolecularWeight: 336.25368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OC)OC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O8/c1-7(14(20)23-2)24-10(17)6-15-12(18)8-4-3-5-9(16(21)22)11(8)13(15)19/h3-5,7H,6H2,1-2H3/t7-/m0/s1