| SpectraBase Spectrum ID |
1xQ7pQ9dkNp |
| Name |
2-[2'-(3"-Nitrophenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16N6O4 |
| InChI |
InChI=1S/C17H16N6O4/c24-17-21-10-3-1-2-7-15(21)20-22(17)14-8-9-18-16(19-14)27-13-6-4-5-12(11-13)23(25)26/h4-6,8-9,11H,1-3,7,10H2 |
| InChIKey |
DISUSAUPGQDHEA-UHFFFAOYSA-N |
| Molecular Weight |
368.353 g/mol |
| SMILES |
C1(N(N=C2CCCCCN12)c1nc(Oc2cc(N(=O)=O)ccc2)ncc1)=O |
| SPLASH |
splash10-00xr-0079000000-2f4cbb6f89342f409f09 |
| Source of Spectrum |
AJ-43-1276-5 |
| Synonyms |
2-[2-(3-nitrophenoxy)-4-pyrimidinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[2-(3-nitrophenoxy)pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Wiley ID |
1594310 |
![2-[2'-(3"-Nitrophenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one](/api/spectrum/1xQ7pQ9dkNp/structure.png?h=300&w=458 "2-[2'-(3\"-Nitrophenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one")
