ethyl 4,4,6,6-tetrakis(chloranyl)-5-cyano-3,7-diphenyl-1,2-diazepine-5-carboxylate

Systemtic Name: ethyl 4,4,6,6-tetrakis(chloranyl)-5-cyano-3,7-diphenyl-1,2-diazepine-5-carboxylate Openeye Name: ethyl 4,4,6,6-tetrachloro-5-cyano-3,7-diphenyl-diazepine-5-carboxylate CAS Name: 4,4,6,6-tetrachloro-5-cyano-3,7-diphenyl-5-diazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 4,4,6,6-tetrachloro-5-cyano-3,7-diphenyldiazepine-5-carboxylate Traditional Name: 4,4,6,6-tetrachloro-5-cyano-3,7-diphenyl-diazepine-5-carboxylic acid ethyl ester Formula: C21H15Cl4N3O2 MolecularWeight: 483.1747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=NN=C(C1(Cl)Cl)C2=CC=CC=C2)C3=CC=CC=C3)(Cl)Cl)C#N

Isomeric SMILES

CCOC(=O)C1(C(C(=NN=C(C1(Cl)Cl)C2=CC=CC=C2)C3=CC=CC=C3)(Cl)Cl)C#N

InChI

InChI=1S/C21H15Cl4N3O2/c1-2-30-18(29)19(13-26)20(22,23)16(14-9-5-3-6-10-14)27-28-17(21(19,24)25)15-11-7-4-8-12-15/h3-12H,2H2,1H3