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PDBeChem : Molecule Descriptors
Molecule : N9P
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
FQFVANSXYKWQOT-ZETCQYMHSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
NC(C(=O)O)Cc1ccncc1 |
4 |
SMILES
|
CACTVS |
3.385 |
N[CH](Cc1ccncc1)C(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cnccc1CC(C(=O)O)N |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
N[C@@H](Cc1ccncc1)C(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cnccc1C[C@@H](C(=O)O)N |
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