| PDB CCD ID: | A1H23 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C18 H12 N2 O4 V |
| InChI: | InChI=1S/2C9H7NO.2O.V/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h2*1-6,11H;;;/q;;;;+2/p-2 |
| InChIKey: | OZVTWOAUPDJZJU-UHFFFAOYSA-L |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=[V]12(=[n]3cccc4cccc(O1)c34)(=[n]5cccc6cccc(O2)c56)=O | | OpenEye OEToolkits 2.0.7 | C1=CC2=CC=CN=3=C2C(=C1)O[V]34(=N5=C6C(=CC=C5)C=CC=C6O4)(=O)=O |
|
| Name: | 2-$l^{1}-oxidanyl-2,2'-spirobi[3-oxa-1$l^{4}-aza-2$l^{7}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene] 2-oxide |
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