4-[(5-chloranyl-2-methoxy-4-nitro-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-methoxy-4-nitro-phenyl)sulfonylamino]butanoic acid Openeye Name: 4-[(5-chloro-2-methoxy-4-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 4-[(5-chloro-2-methoxy-4-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[(5-chloro-2-methoxy-4-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(5-chloro-2-methoxy-4-nitro-phenyl)sulfonylamino]butyric acid Formula: C11H13ClN2O7S MolecularWeight: 352.74812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)S(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C11H13ClN2O7S/c1-21-9-6-8(14(17)18)7(12)5-10(9)22(19,20)13-4-2-3-11(15)16/h5-6,13H,2-4H2,1H3,(H,15,16)