nitrile can't be pasted correctly in Marvin from Chemdraw

Hi, we ran into a problem when we pasted the structure with nitrile from Chemdraw into Marvin, the nitrile changed automatically to the format of isonitrle, but it is nitrile in fact when the group was upgrouped. This situtation will give the wrong information for the viewer. If the structure with nitrile is drawn in the Marvin, the structure will be displayed correctly. Could you help to fix it? I attached the example(left is the structure from Chemdraw, right is drawn in the Marvin, the upgrouped structure of above both is in the middle)

 

Thanks

Hi,

Could you provide the cdx file where this structure came from?

It would make fixing this problem easier.

Best regards,

Peter

gezapeti wrote:

Hi, Could you provide the cdx file where this structure came from? It would make fixing this problem easier. Best regards, Peter

please see the attached file, if the nitrile/isonitrile group is on the left of bond, the format of nitrile/isonitrile will changed when pasting from Chemdraw to Marvin and the structure looks like to be wrong. but if the nitrile/isonitrile group is on the right of bond, the format will be kept

Thanks for the file, we've started to investigate the issue.

We will get back to you if we meet any progress.

Best regards,

Peter

we are wondering if there was any progress on this issue, thanks

Hi,

We were able to fix most of the abbreviations coming from cdx, but the groups in this file are still improper.

We will check on this again soon.

 

BRs

Peter

 

Hi,

The issue regarding the wrong left/right name for certain groups has been fixed, and was included in this weeks release (14.11.24.0). 

 

Regards,

Tamas Fazekas-Vigh

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