N9M
benzyl (carboxyoxy)carbamate
Created: | 2019-05-09 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 24 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | benzyl (carboxyoxy)carbamate |
Systematic Name (OpenEye OEToolkits) | phenylmethoxycarbonylamino hydrogen carbonate |
Formula | C9 H9 N O5 |
Molecular Weight | 211.171 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cccc(c1)COC(=O)NOC(O)=O |
SMILES | CACTVS | 3.385 | OC(=O)ONC(=O)OCc1ccccc1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)NOC(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)ONC(=O)OCc1ccccc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)NOC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H9NO5/c11-8(10-15-9(12)13)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13) |
InChIKey | InChI | 1.03 | DUVYLXOFESFFPT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 17775114 |