4-[methyl-(3-nitro-4-oxidanyl-phenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(3-nitro-4-oxidanyl-phenyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O7S/c1-12(6-2-3-11(15)16)21(19,20)8-4-5-10(14)9(7-8)13(17)18/h4-5,7,14H,2-3,6H2,1H3,(H,15,16)