4-methylsulfanyl-2-nitro-2-[nitro(phenyl)amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-nitro-2-[nitro(phenyl)amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-nitro-2-(N-nitroanilino)butanoic acid CAS Name: 4-(methylthio)-2-nitro-2-(N-nitroanilino)butanoic acid IUPAC Name: 4-methylsulfanyl-2-nitro-2-(N-nitroanilino)butanoic acid Traditional Name: 4-(methylthio)-2-nitro-2-(N-nitroanilino)butyric acid Formula: C11H13N3O6S MolecularWeight: 315.30242

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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

CSCCC(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)