N-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-piperonylamide Formula: C16H14N2O6 MolecularWeight: 330.29216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC[C@@H](C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H14N2O6/c19-13(10-1-4-12(5-2-10)18(21)22)8-17-16(20)11-3-6-14-15(7-11)24-9-23-14/h1-7,13,19H,8-9H2,(H,17,20)/t13-/m0/s1