N-[(2S)-butan-2-yl]-2-(4-methyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(4-methyl-2-nitro-phenoxy)ethanamide Openeye Name: 2-(4-methyl-2-nitro-phenoxy)-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-(4-methyl-2-nitrophenoxy)acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(4-methyl-2-nitrophenoxy)acetamide Traditional Name: 2-(4-methyl-2-nitro-phenoxy)-N-[(1S)-1-methylpropyl]acetamide Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=C(C=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)COC1=C(C=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-4-10(3)14-13(16)8-19-12-6-5-9(2)7-11(12)15(17)18/h5-7,10H,4,8H2,1-3H3,(H,14,16)/t10-/m0/s1