2-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-chloro-5-nitro-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(2-chloro-5-nitrophenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(2-chloro-5-nitrophenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(2-chloro-5-nitro-phenyl)sulfonylamino]-3-methyl-butyric acid Formula: C11H13ClN2O6S MolecularWeight: 336.74872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O6S/c1-6(2)10(11(15)16)13-21(19,20)9-5-7(14(17)18)3-4-8(9)12/h3-6,10,13H,1-2H3,(H,15,16)