N-(1-diethoxyphosphoryl-2-oxidanyl-ethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(1-diethoxyphosphoryl-2-oxidanyl-ethyl)-3,5-dinitro-benzamide Openeye Name: N-(1-diethoxyphosphoryl-2-hydroxy-ethyl)-3,5-dinitro-benzamide CAS Name: N-(1-diethoxyphosphoryl-2-hydroxyethyl)-3,5-dinitrobenzamide IUPAC Name: N-(1-diethoxyphosphoryl-2-hydroxyethyl)-3,5-dinitrobenzamide Traditional Name: N-(1-diethoxyphosphoryl-2-hydroxy-ethyl)-3,5-dinitro-benzamide Formula: C13H18N3O9P MolecularWeight: 391.270481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N3O9P/c1-3-24-26(23,25-4-2)12(8-17)14-13(18)9-5-10(15(19)20)7-11(6-9)16(21)22/h5-7,12,17H,3-4,8H2,1-2H3,(H,14,18)