N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(1-carbamoyl-3-methyl-butyl)-3,5-dinitro-benzamide CAS Name: N-(1-amino-4-methyl-1-oxopentan-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(1-amino-4-methyl-1-oxopentan-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(1-carbamoyl-3-methyl-butyl)-3,5-dinitro-benzamide Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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