2-[(4-chloranyl-2-nitro-phenyl)sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-chloranyl-2-nitro-phenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-chloro-2-nitro-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(4-chloro-2-nitrophenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-chloro-2-nitrophenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-chloro-2-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=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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