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

Systemtic Name: 3-[3-azanyl-2-[2-(2-hydroxyethylamino)ethyl]-5-nitro-phenyl]sulfonylpropanoic acid Openeye Name: 3-[3-amino-2-[2-(2-hydroxyethylamino)ethyl]-5-nitro-phenyl]sulfonylpropanoic acid CAS Name: 3-[3-amino-2-[2-(2-hydroxyethylamino)ethyl]-5-nitrophenyl]sulfonylpropanoic acid IUPAC Name: 3-[3-amino-2-[2-(2-hydroxyethylamino)ethyl]-5-nitrophenyl]sulfonylpropanoic acid Traditional Name: 3-[3-amino-2-[2-(2-hydroxyethylamino)ethyl]-5-nitro-phenyl]sulfonylpropionic acid Formula: C13H19N3O7S MolecularWeight: 361.37086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O7S/c14-11-7-9(16(20)21)8-12(10(11)1-3-15-4-5-17)24(22,23)6-2-13(18)19/h7-8,15,17H,1-6,14H2,(H,18,19)