(2R)-4-methylsulfanyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: (2R)-4-(methylthio)-2-(5-nitro-1,3-dioxo-2-isoindolyl)butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: (2R)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)-4-(methylthio)butyrate Formula: C13H11N2O6S- MolecularWeight: 323.30124

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])N1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)[O-])N1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6S/c1-22-5-4-10(13(18)19)14-11(16)8-3-2-7(15(20)21)6-9(8)12(14)17/h2-3,6,10H,4-5H2,1H3,(H,18,19)/p-1/t10-/m1/s1