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

Systemtic Name: N-(3-chloranylpropyl)-2-methyl-3,5-dinitro-benzamide Openeye Name: N-(3-chloropropyl)-2-methyl-3,5-dinitro-benzamide CAS Name: N-(3-chloropropyl)-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-(3-chloropropyl)-2-methyl-3,5-dinitrobenzamide Traditional Name: N-(3-chloropropyl)-2-methyl-3,5-dinitro-benzamide Formula: C11H12ClN3O5 MolecularWeight: 301.68308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClN3O5/c1-7-9(11(16)13-4-2-3-12)5-8(14(17)18)6-10(7)15(19)20/h5-6H,2-4H2,1H3,(H,13,16)