N-(2-diethoxyphosphorylpropan-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-diethoxyphosphorylpropan-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(1-diethoxyphosphoryl-1-methyl-ethyl)-3,5-dinitro-benzamide CAS Name: N-(2-diethoxyphosphorylpropan-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(2-diethoxyphosphorylpropan-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(1-diethoxyphosphoryl-1-methyl-ethyl)-3,5-dinitro-benzamide Formula: C14H20N3O8P MolecularWeight: 389.297661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C)(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C(C)(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C14H20N3O8P/c1-5-24-26(23,25-6-2)14(3,4)15-13(18)10-7-11(16(19)20)9-12(8-10)17(21)22/h7-9H,5-6H2,1-4H3,(H,15,18)