3,5-dinitro-N-[2-oxidanylidene-1-phenyl-2-(prop-2-enylamino)ethyl]benzamide

Systemtic Name: 3,5-dinitro-N-[2-oxidanylidene-1-phenyl-2-(prop-2-enylamino)ethyl]benzamide Openeye Name: N-[2-(allylamino)-2-oxo-1-phenyl-ethyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]benzamide IUPAC Name: 3,5-dinitro-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]benzamide Traditional Name: N-[2-(allylamino)-2-keto-1-phenyl-ethyl]-3,5-dinitro-benzamide Formula: C18H16N4O6 MolecularWeight: 384.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O6/c1-2-8-19-18(24)16(12-6-4-3-5-7-12)20-17(23)13-9-14(21(25)26)11-15(10-13)22(27)28/h2-7,9-11,16H,1,8H2,(H,19,24)(H,20,23)