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

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(2-chloro-5-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(2-chloro-5-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(2-chloro-5-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2-chloro-5-nitro-phenyl)sulfonylamino]butyric acid Formula: C10H11ClN2O6S MolecularWeight: 322.72214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClN2O6S/c1-6(4-10(14)15)12-20(18,19)9-5-7(13(16)17)2-3-8(9)11/h2-3,5-6,12H,4H2,1H3,(H,14,15)