3-[2-[1-(2-hydroxyethylamino)ethylamino]-5-nitro-phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[2-[1-(2-hydroxyethylamino)ethylamino]-5-nitro-phenyl]sulfonylpropanoic acid Openeye Name: 3-[2-[1-(2-hydroxyethylamino)ethylamino]-5-nitro-phenyl]sulfonylpropanoic acid CAS Name: 3-[2-[1-(2-hydroxyethylamino)ethylamino]-5-nitrophenyl]sulfonylpropanoic acid IUPAC Name: 3-[2-[1-(2-hydroxyethylamino)ethylamino]-5-nitrophenyl]sulfonylpropanoic acid Traditional Name: 3-[2-[1-(2-hydroxyethylamino)ethylamino]-5-nitro-phenyl]sulfonylpropionic acid Formula: C13H19N3O7S MolecularWeight: 361.37086

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCCO)NC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)CCC(=O)O

Isomeric SMILES

CC(NCCO)NC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C13H19N3O7S/c1-9(14-5-6-17)15-11-3-2-10(16(20)21)8-12(11)24(22,23)7-4-13(18)19/h2-3,8-9,14-15,17H,4-7H2,1H3,(H,18,19)