N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dinitro-benzamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[1-(4-sec-butylphenyl)propyl]benzamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dinitrobenzamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[1-(4-sec-butylphenyl)propyl]benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-4-13(3)14-6-8-15(9-7-14)19(5-2)21-20(24)16-10-17(22(25)26)12-18(11-16)23(27)28/h6-13,19H,4-5H2,1-3H3,(H,21,24)