N-(3-methyl-1-methylperoxy-butan-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(3-methyl-1-methylperoxy-butan-2-yl)-3,5-dinitro-benzamide Openeye Name: N-[2-methyl-1-(methylperoxymethyl)propyl]-3,5-dinitro-benzamide CAS Name: N-(3-methyl-1-methyldioxybutan-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(3-methyl-1-methylperoxybutan-2-yl)-3,5-dinitrobenzamide Traditional Name: N-[2-methyl-1-(methylperoxymethyl)propyl]-3,5-dinitro-benzamide Formula: C13H17N3O7 MolecularWeight: 327.28998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O7/c1-8(2)12(7-23-22-3)14-13(17)9-4-10(15(18)19)6-11(5-9)16(20)21/h4-6,8,12H,7H2,1-3H3,(H,14,17)