Molecular properties
- Formula
- C16H11ClN2O3
- Molar mass
- 314.73 g·mol−1
- Exact mass
- 314.0458 Da
- 12
- PubChem CID
- 2809
Molecule record
7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid
C16H11ClN2O3
314.73 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Amide
Aromatic ring
Aryl halide
Carboxylic acid
Secondary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 149128-44-9
- 1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-
- 23887-31-2
- 245-926-8
- 4306-CB FREE ACID
- 7-Chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid
- 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid
- 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid
Show all 24 synonyms
- ABBOTT-35616 FREE ACID
- CHEBI:3761
- Cchlorazepic acid
- Chlorazepate
- Clorazepic acid
- Clorazepic acid [BAN]
- D51WO0G0L4
- DEA No. 2768
- DTXCID40812260
- DTXSID20863674
- HSDB 3041
- Mendon
- RefChem:57609
- Tencilan
- Tranxilene
- clorazepate
Structure identifiers
- Canonical SMILES
- O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
- Isomeric SMILES
- C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O
- InChI
- InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)
- InChIKey
- XDDJGVMJFWAHJX-UHFFFAOYSA-N
- PubChem CID
- 2809
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.