N-(1-dimethoxyphosphoryl-2,2-dimethyl-pent-4-enyl)-3,5-dinitro-benzamide

Systemtic Name: N-(1-dimethoxyphosphoryl-2,2-dimethyl-pent-4-enyl)-3,5-dinitro-benzamide Openeye Name: N-(1-dimethoxyphosphoryl-2,2-dimethyl-pent-4-enyl)-3,5-dinitro-benzamide CAS Name: N-(1-dimethoxyphosphoryl-2,2-dimethylpent-4-enyl)-3,5-dinitrobenzamide IUPAC Name: N-(1-dimethoxyphosphoryl-2,2-dimethylpent-4-enyl)-3,5-dinitrobenzamide Traditional Name: N-(1-dimethoxyphosphoryl-2,2-dimethyl-pent-4-enyl)-3,5-dinitro-benzamide Formula: C16H22N3O8P MolecularWeight: 415.334941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC=C)C(NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])P(=O)(OC)OC

Isomeric SMILES

CC(C)(CC=C)C(NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])P(=O)(OC)OC

InChI

InChI=1S/C16H22N3O8P/c1-6-7-16(2,3)15(28(25,26-4)27-5)17-14(20)11-8-12(18(21)22)10-13(9-11)19(23)24/h6,8-10,15H,1,7H2,2-5H3,(H,17,20)