N-(2-azanyl-4-methyl-pentanoyl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-azanyl-4-methyl-pentanoyl)-3,5-dinitro-benzamide Openeye Name: N-(2-amino-4-methyl-pentanoyl)-3,5-dinitro-benzamide CAS Name: N-(2-amino-4-methyl-1-oxopentyl)-3,5-dinitrobenzamide IUPAC Name: N-(2-amino-4-methylpentanoyl)-3,5-dinitrobenzamide Traditional Name: N-(2-amino-4-methyl-pentanoyl)-3,5-dinitro-benzamide Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O6/c1-7(2)3-11(14)13(19)15-12(18)8-4-9(16(20)21)6-10(5-8)17(22)23/h4-7,11H,3,14H2,1-2H3,(H,15,18,19)