5,5a-dihydro-4H-1,4-benzodiazepine-3,6-dione

Systemtic Name: 5,5a-dihydro-4H-1,4-benzodiazepine-3,6-dione Openeye Name: 5,5a-dihydro-4H-1,4-benzodiazepine-3,6-dione CAS Name: 5,5a-dihydro-4H-1,4-benzodiazepine-3,6-dione IUPAC Name: 5,5a-dihydro-4H-1,4-benzodiazepine-3,6-dione Traditional Name: 5,5a-dihydro-4H-1,4-benzodiazepine-3,6-quinone Formula: C9H8N2O2 MolecularWeight: 176.17202

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=O)C=CC=C2N=CC(=O)N1

Isomeric SMILES

C1C2C(=O)C=CC=C2N=CC(=O)N1

InChI

InChI=1S/C9H8N2O2/c12-8-3-1-2-7-6(8)4-11-9(13)5-10-7/h1-3,5-6H,4H2,(H,11,13)