2-[4-(4-nitrophenoxy)piperidin-1-yl]sulfonylethanoic acid

Systemtic Name: 2-[4-(4-nitrophenoxy)piperidin-1-yl]sulfonylethanoic acid Openeye Name: 2-[[4-(4-nitrophenoxy)-1-piperidyl]sulfonyl]acetic acid CAS Name: 2-[[4-(4-nitrophenoxy)-1-piperidinyl]sulfonyl]acetic acid IUPAC Name: 2-[4-(4-nitrophenoxy)piperidin-1-yl]sulfonylacetic acid Traditional Name: 2-[4-(4-nitrophenoxy)piperidino]sulfonylacetic acid Formula: C13H16N2O7S MolecularWeight: 344.34034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC(=O)O

InChI

InChI=1S/C13H16N2O7S/c16-13(17)9-23(20,21)14-7-5-12(6-8-14)22-11-3-1-10(2-4-11)15(18)19/h1-4,12H,5-9H2,(H,16,17)