N-heptyl-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-heptyl-2-methyl-3,5-dinitro-benzamide Openeye Name: N-heptyl-2-methyl-3,5-dinitro-benzamide CAS Name: N-heptyl-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-heptyl-2-methyl-3,5-dinitrobenzamide Traditional Name: N-heptyl-2-methyl-3,5-dinitro-benzamide Formula: C15H21N3O5 MolecularWeight: 323.34434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCNC(=O)C1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5/c1-3-4-5-6-7-8-16-15(19)13-9-12(17(20)21)10-14(11(13)2)18(22)23/h9-10H,3-8H2,1-2H3,(H,16,19)