3-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanoate

Systemtic Name: 3-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanoate Openeye Name: 3-(4-morpholinosulfonyl-2-nitro-phenoxy)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]propanoate IUPAC Name: 3-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propanoate Traditional Name: 3-(4-morpholinosulfonyl-2-nitro-phenoxy)propionate Formula: C13H15N2O8S- MolecularWeight: 359.3318

Click to see the large picture

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)/p-1