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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O7S/c17-7-6-14-4-5-15-11-2-1-10(16(20)21)9-12(11)24(22,23)8-3-13(18)19/h1-2,9,14-15,17H,3-8H2,(H,18,19)