Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H10F3NO3 |
| Molecular Weight | 273.2079 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed E-isomer (MM2 minimum energy of E and Z are 0.7950 and 28.2087 kcal/mol) |
SHOW SMILES / InChI
SMILES
OC(=O)CNC(=O)\C=C\C1=CC(=CC=C1)C(F)(F)F
InChI
InChIKey=JYMGWJYSVGDUQH-SNAWJCMRSA-N
InChI=1S/C12H10F3NO3/c13-12(14,15)9-3-1-2-8(6-9)4-5-10(17)16-7-11(18)19/h1-6H,7H2,(H,16,17)(H,18,19)/b5-4+
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
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Systematic Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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5889983
Created by
admin on Sat Dec 16 11:15:07 GMT 2023 , Edited by admin on Sat Dec 16 11:15:07 GMT 2023
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PRIMARY | |||
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DTXSID30394828
Created by
admin on Sat Dec 16 11:15:07 GMT 2023 , Edited by admin on Sat Dec 16 11:15:07 GMT 2023
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PRIMARY | |||
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1029092-60-1
Created by
admin on Sat Dec 16 11:15:07 GMT 2023 , Edited by admin on Sat Dec 16 11:15:07 GMT 2023
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PRIMARY | |||
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M4SJ278R3C
Created by
admin on Sat Dec 16 11:15:07 GMT 2023 , Edited by admin on Sat Dec 16 11:15:07 GMT 2023
|
PRIMARY | |||
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848608-67-3
Created by
admin on Sat Dec 16 11:15:07 GMT 2023 , Edited by admin on Sat Dec 16 11:15:07 GMT 2023
|
NON-SPECIFIC STEREOCHEMISTRY |
PARENT (METABOLITE)
SUBSTANCE RECORD
