2-(8-nitro-6-oxo-5h-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid (CHEM295855)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 16:41:02 UTC | ||||||||
| Update Date | 2026-08-28 16:41:02 UTC | ||||||||
| Accession Number | CHEM295855 | ||||||||
| Identification | |||||||||
| Common Name | 2-(8-nitro-6-oxo-5h-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-(8-nitro-6-oxo-5h-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C16H12N2O6 and an average molecular weight of 328.28 g/mol. This compound is further classified as an organic oxygen compound. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H12N2O6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 328.070 g/mol | ||||||||
| CAS Registry Number | 109790-30-9 | ||||||||
| IUPAC Name | 2-(8-nitro-6-oxo-5h-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C1=CC2=C(C=C1)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)C(=O)O | ||||||||
| InChI Identifier | InChI=1S/C16H12N2O6/c1-8(16(20)21)9-2-4-14-12(6-9)17-15(19)11-7-10(18(22)23)3-5-13(11)24-14/h2-8H,1H3,(H,17,19)(H,20,21) | ||||||||
| InChI Key | XVNNUQVAMNIJET-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
