N-[3-(3-methoxyphenyl)-3-methyl-butyl]-N-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[3-(3-methoxyphenyl)-3-methyl-butyl]-N-methyl-3,5-dinitro-benzamide Openeye Name: N-[3-(3-methoxyphenyl)-3-methyl-butyl]-N-methyl-3,5-dinitro-benzamide CAS Name: N-[3-(3-methoxyphenyl)-3-methylbutyl]-N-methyl-3,5-dinitrobenzamide IUPAC Name: N-[3-(3-methoxyphenyl)-3-methylbutyl]-N-methyl-3,5-dinitrobenzamide Traditional Name: N-[3-(3-methoxyphenyl)-3-methyl-butyl]-N-methyl-3,5-dinitro-benzamide Formula: C20H23N3O6 MolecularWeight: 401.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN(C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(CCN(C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC(=CC=C2)OC

InChI

InChI=1S/C20H23N3O6/c1-20(2,15-6-5-7-18(12-15)29-4)8-9-21(3)19(24)14-10-16(22(25)26)13-17(11-14)23(27)28/h5-7,10-13H,8-9H2,1-4H3