N9M

benzyl (carboxyoxy)carbamate

Created: 2019-05-09
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count24
Aromatic Bond Count6
2D diagram of N9M

Chemical Component Summary

Namebenzyl (carboxyoxy)carbamate
Systematic Name (OpenEye OEToolkits)phenylmethoxycarbonylamino hydrogen carbonate
FormulaC9 H9 N O5
Molecular Weight211.171
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1cccc(c1)COC(=O)NOC(O)=O
SMILESCACTVS3.385OC(=O)ONC(=O)OCc1ccccc1
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COC(=O)NOC(=O)O
Canonical SMILESCACTVS3.385 OC(=O)ONC(=O)OCc1ccccc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)COC(=O)NOC(=O)O
InChIInChI1.03 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)
InChIKeyInChI1.03 DUVYLXOFESFFPT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 17775114