PDB CCD ID: | U14 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C10 H8 N6 O2 |
InChI: | InChI=1S/C10H8N6O2/c11-8-7(9(12)16-15-8)14-13-6-3-1-2-5(4-6)10(17)18/h1-4,11H,12H2,(H,17,18)/b11-8-,14-13+ |
InChIKey: | PIUSHRUXZPMNPD-KBABRGLLSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | [H]N=C1C(=C(N=N1)N)N=Nc2cccc(c2)C(=O)O | OpenEye OEToolkits 1.5.0 | [H]/N=C\1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O | ACDLabs 10.04 | O=C(O)c2cc(/N=N/C=1C(=[N@H])N=NC=1N)ccc2 | CACTVS 3.341 | NC1=C(N=Nc2cccc(c2)C(O)=O)C(=N)N=N1 |
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Name: | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4-YLAZO)-BENZOIC ACID |