2-methyl-N-(3-methylbutyl)-3,5-dinitro-benzamide

Systemtic Name: 2-methyl-N-(3-methylbutyl)-3,5-dinitro-benzamide Openeye Name: N-isopentyl-2-methyl-3,5-dinitro-benzamide CAS Name: 2-methyl-N-(3-methylbutyl)-3,5-dinitrobenzamide IUPAC Name: 2-methyl-N-(3-methylbutyl)-3,5-dinitrobenzamide Traditional Name: N-isoamyl-2-methyl-3,5-dinitro-benzamide Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NCCC(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NCCC(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

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