Molecule ID: 91825662

IUPAC Name: 2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid

Description: The molecule is an organic heterobicyclic compound that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine which has been substituted by a carboxy group at position 3 and by oxo groups at positions 2 and 5. It is a 1,4-benzodiazepinone, a monocarboxylic acid, an organic heterobicyclic compound and a lactam.

SMILES: O=C(O)C1N=C(O)c2ccccc2N=C1O

SELFIES: [O][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][O]

InChI: InChI=1S/C10H8N2O4/c13-8-5-3-1-2-4-6(5)11-9(14)7(12-8)10(15)16/h1-4,7H,(H,11,14)(H,12,13)(H,15,16)

Molecular Properties:
- Polar Surface Area: 95.5 Ų
- LogP: 0.5