4-[(2-chloranyl-4-nitro-phenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-chloro-4-nitro-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(2-chloro-4-nitrophenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(2-chloro-4-nitrophenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(2-chloro-4-nitro-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C11H13ClN2O6S MolecularWeight: 336.74872

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H13ClN2O6S/c1-13(6-2-3-11(15)16)21(19,20)10-5-4-8(14(17)18)7-9(10)12/h4-5,7H,2-3,6H2,1H3,(H,15,16)