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

Systemtic Name: methyl (2S,4S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-nitro-pentanoate Openeye Name: methyl (2S,4S)-2-(1,3-dioxoisoindolin-2-yl)-4-nitro-pentanoate CAS Name: (2S,4S)-2-(1,3-dioxo-2-isoindolyl)-4-nitropentanoic acid methyl ester IUPAC Name: methyl (2S,4S)-2-(1,3-dioxoisoindol-2-yl)-4-nitropentanoate Traditional Name: (2S,4S)-4-nitro-2-phthalimido-valeric acid methyl ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C[C@@H](C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6/c1-8(16(20)21)7-11(14(19)22-2)15-12(17)9-5-3-4-6-10(9)13(15)18/h3-6,8,11H,7H2,1-2H3/t8-,11-/m0/s1