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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)CCC(=O)O)NCCN

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)CCC(=O)O)NCCN

InChI

InChI=1S/C11H15N3O6S/c12-4-5-13-9-2-1-8(14(17)18)7-10(9)21(19,20)6-3-11(15)16/h1-2,7,13H,3-6,12H2,(H,15,16)