6,7,8-tris(chloranyl)-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 6,7,8-tris(chloranyl)-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Openeye Name: 6,7,8-trichloro-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione CAS Name: 6,7,8-trichloro-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione IUPAC Name: 6,7,8-trichloro-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Traditional Name: 6,7,8-trichloro-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-quinone Formula: C9H4Cl3N3O4 MolecularWeight: 324.50476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1Cl)Cl)Cl)C(=O)NC(C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

C1=C2C(=C(C(=C1Cl)Cl)Cl)C(=O)NC(C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C9H4Cl3N3O4/c10-2-1-3-4(6(12)5(2)11)8(16)14-7(15(18)19)9(17)13-3/h1,7H,(H,13,17)(H,14,16)