3-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]butyric acid Formula: C11H13ClN2O6S MolecularWeight: 336.74872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC(C)CC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC(C)CC(=O)O)Cl

InChI

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