2-methyl-3,5-dinitro-N-pentan-2-yl-benzamide

Systemtic Name: 2-methyl-3,5-dinitro-N-pentan-2-yl-benzamide Openeye Name: 2-methyl-N-(1-methylbutyl)-3,5-dinitro-benzamide CAS Name: 2-methyl-3,5-dinitro-N-pentan-2-ylbenzamide IUPAC Name: 2-methyl-3,5-dinitro-N-pentan-2-ylbenzamide Traditional Name: 2-methyl-N-(1-methylbutyl)-3,5-dinitro-benzamide Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(C)NC(=O)C1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-4-5-8(2)14-13(17)11-6-10(15(18)19)7-12(9(11)3)16(20)21/h6-8H,4-5H2,1-3H3,(H,14,17)