7,8-bis(chloranyl)-3,6-dinitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione

Systemtic Name: 7,8-bis(chloranyl)-3,6-dinitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione Openeye Name: 7,8-dichloro-3,6-dinitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione CAS Name: 7,8-dichloro-3,6-dinitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione IUPAC Name: 7,8-dichloro-3,6-dinitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione Traditional Name: 7,8-dichloro-3,6-dinitro-1,5-dihydro-1,5-benzodiazepine-2,4-quinone Formula: C9H4Cl2N4O6 MolecularWeight: 335.05726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H4Cl2N4O6/c10-2-1-3-5(6(4(2)11)14(18)19)13-9(17)7(15(20)21)8(16)12-3/h1,7H,(H,12,16)(H,13,17)