N-[(2S)-butan-2-yl]-2-(2,4-dinitrophenyl)ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(2,4-dinitrophenyl)ethanamide Openeye Name: 2-(2,4-dinitrophenyl)-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-(2,4-dinitrophenyl)acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(2,4-dinitrophenyl)acetamide Traditional Name: 2-(2,4-dinitrophenyl)-N-[(1S)-1-methylpropyl]acetamide Formula: C12H15N3O5 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-3-8(2)13-12(16)6-9-4-5-10(14(17)18)7-11(9)15(19)20/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)/t8-/m0/s1