(2S)-3-methyl-2-[(3-nitro-4-oxidanidyl-phenyl)sulfonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(3-nitro-4-oxidanidyl-phenyl)sulfonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(3-nitro-4-oxido-phenyl)sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[(3-nitro-4-oxidophenyl)sulfonylamino]butanoate IUPAC Name: (2S)-3-methyl-2-[(3-nitro-4-oxidophenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-nitro-4-oxido-phenyl)sulfonylamino]butyrate Formula: C11H12N2O7S-2 MolecularWeight: 316.28718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O7S/c1-6(2)10(11(15)16)12-21(19,20)7-3-4-9(14)8(5-7)13(17)18/h3-6,10,12,14H,1-2H3,(H,15,16)/p-2/t10-/m0/s1