(2R)-4-methylsulfanyl-2-nitro-2-[nitro(phenyl)amino]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-nitro-2-[nitro(phenyl)amino]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-nitro-2-(N-nitroanilino)butanoate CAS Name: (2R)-4-(methylthio)-2-nitro-2-(N-nitroanilino)butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-nitro-2-(N-nitroanilino)butanoate Traditional Name: (2R)-4-(methylthio)-2-nitro-2-(N-nitroanilino)butyrate Formula: C11H12N3O6S- MolecularWeight: 314.29448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@@](C(=O)[O-])(N(C1=CC=CC=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6S/c1-21-8-7-11(10(15)16,13(17)18)12(14(19)20)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,15,16)/p-1/t11-/m1/s1