N-[4-(4-acetamido-6-iodanyl-3,3-dinitro-cyclohexa-1,4-dien-1-yl)-3-iodanyl-phenyl]ethanamide

Systemtic Name: N-[4-(4-acetamido-6-iodanyl-3,3-dinitro-cyclohexa-1,4-dien-1-yl)-3-iodanyl-phenyl]ethanamide Openeye Name: N-[4-(4-acetamido-6-iodo-3,3-dinitro-cyclohexa-1,4-dien-1-yl)-3-iodo-phenyl]acetamide CAS Name: N-[4-(4-acetamido-6-iodo-3,3-dinitro-1-cyclohexa-1,4-dienyl)-3-iodophenyl]acetamide IUPAC Name: N-[4-(4-acetamido-6-iodo-3,3-dinitrocyclohexa-1,4-dien-1-yl)-3-iodophenyl]acetamide Traditional Name: N-[4-(4-acetamido-6-iodo-3,3-dinitro-cyclohexa-1,4-dien-1-yl)-3-iodo-phenyl]acetamide Formula: C16H14I2N4O6 MolecularWeight: 612.1145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CC(C(=CC2I)NC(=O)C)([N+](=O)[O-])[N+](=O)[O-])I

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CC(C(=CC2I)NC(=O)C)([N+](=O)[O-])[N+](=O)[O-])I

InChI

InChI=1S/C16H14I2N4O6/c1-8(23)19-10-3-4-11(13(17)5-10)12-7-16(21(25)26,22(27)28)15(6-14(12)18)20-9(2)24/h3-7,14H,1-2H3,(H,19,23)(H,20,24)