| PDB CCD ID: | BR0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H12 N2 O6 |
| InChI: | InChI=1S/C14H12N2O6/c17-13(18)8-4-5-9(16(21)22)10-6-2-1-3-7(6)12(14(19)20)15-11(8)10/h1-2,4-7,12,15H,3H2,(H,17,18)(H,19,20)/t6-,7+,12-/m1/s1 |
| InChIKey: | CTXNQOWRJIPUOM-KEHGIVTQSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(O)c1c3c(c([N+]([O-])=O)cc1)C2C=CCC2C(C(=O)O)N3 | | OpenEye OEToolkits 1.7.0 | c1cc(c2c(c1C(=O)O)NC(C3C2C=CC3)C(=O)O)[N+](=O)[O-] | | CACTVS 3.370 | OC(=O)[C@@H]1Nc2c(ccc(c2[C@@H]3C=CC[C@H]13)[N+]([O-])=O)C(O)=O | | CACTVS 3.370 | OC(=O)[CH]1Nc2c(ccc(c2[CH]3C=CC[CH]13)[N+]([O-])=O)C(O)=O | | OpenEye OEToolkits 1.7.0 | c1cc(c2c(c1C(=O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N+](=O)[O-] |
|
| Name: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid |
| ZINC: | ZINC000004638876 |
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