3,5-dinitro-N-[3-(3-phenylpropanoylamino)phenyl]benzamide

Systemtic Name: 3,5-dinitro-N-[3-(3-phenylpropanoylamino)phenyl]benzamide Openeye Name: 3,5-dinitro-N-[3-(3-phenylpropanoylamino)phenyl]benzamide CAS Name: 3,5-dinitro-N-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]benzamide IUPAC Name: 3,5-dinitro-N-[3-(3-phenylpropanoylamino)phenyl]benzamide Traditional Name: N-[3-(hydrocinnamoylamino)phenyl]-3,5-dinitro-benzamide Formula: C22H18N4O6 MolecularWeight: 434.40152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O6/c27-21(10-9-15-5-2-1-3-6-15)23-17-7-4-8-18(13-17)24-22(28)16-11-19(25(29)30)14-20(12-16)26(31)32/h1-8,11-14H,9-10H2,(H,23,27)(H,24,28)