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PDBeChem : Molecule Descriptors
Molecule : V2E
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H12N2O4/c14-8-9-1-2-10(13(15)16)11(7-9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2 |
2 |
InChIKey
|
InChI |
1.03 |
FAJSCBIMFMOQMQ-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
[O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-] |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
[O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-] |
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