3-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanoic acid

Systemtic Name: 3-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanoic acid Openeye Name: 3-(4-morpholinosulfonyl-2-nitro-phenoxy)propanoic acid CAS Name: 3-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]propanoic acid IUPAC Name: 3-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propanoic acid Traditional Name: 3-(4-morpholinosulfonyl-2-nitro-phenoxy)propionic acid Formula: C13H16N2O8S MolecularWeight: 360.33974

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O8S/c16-13(17)3-6-23-12-2-1-10(9-11(12)15(18)19)24(20,21)14-4-7-22-8-5-14/h1-2,9H,3-8H2,(H,16,17)