N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-2-nitro-phenoxy)acetamide CAS Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide IUPAC Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide Traditional Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-2-nitro-phenoxy)acetamide Formula: C18H18N2O6 MolecularWeight: 358.34532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC(C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N[C@H](C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-11-3-5-15(14(7-11)20(22)23)24-9-18(21)19-12(2)13-4-6-16-17(8-13)26-10-25-16/h3-8,12H,9-10H2,1-2H3,(H,19,21)/t12-/m1/s1