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

Systemtic Name: N-(2,2-dimethyl-1-phosphonato-pent-4-enyl)-3,5-dinitro-benzamide Openeye Name: N-(2,2-dimethyl-1-phosphonato-pent-4-enyl)-3,5-dinitro-benzamide CAS Name: N-(2,2-dimethyl-1-phosphonatopent-4-enyl)-3,5-dinitrobenzamide IUPAC Name: N-(2,2-dimethyl-1-phosphonatopent-4-enyl)-3,5-dinitrobenzamide Traditional Name: N-(2,2-dimethyl-1-phosphonato-pent-4-enyl)-3,5-dinitro-benzamide Formula: C14H16N3O8P-2 MolecularWeight: 385.265901

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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)([O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H18N3O8P/c1-4-5-14(2,3)13(26(23,24)25)15-12(18)9-6-10(16(19)20)8-11(7-9)17(21)22/h4,6-8,13H,1,5H2,2-3H3,(H,15,18)(H2,23,24,25)/p-2