3-[3-azanyl-2-(2-azanylethyl)-5-nitro-phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[3-azanyl-2-(2-azanylethyl)-5-nitro-phenyl]sulfonylpropanoic acid Openeye Name: 3-[3-amino-2-(2-aminoethyl)-5-nitro-phenyl]sulfonylpropanoic acid CAS Name: 3-[3-amino-2-(2-aminoethyl)-5-nitrophenyl]sulfonylpropanoic acid IUPAC Name: 3-[3-amino-2-(2-aminoethyl)-5-nitrophenyl]sulfonylpropanoic acid Traditional Name: 3-[3-amino-2-(2-aminoethyl)-5-nitro-phenyl]sulfonylpropionic acid Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)CCC(=O)O)CCN)N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)CCC(=O)O)CCN)N)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O6S/c12-3-1-8-9(13)5-7(14(17)18)6-10(8)21(19,20)4-2-11(15)16/h5-6H,1-4,12-13H2,(H,15,16)