A1E1K
Summary
| Name: | 6-chloranyl-10-oxidanylidene-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-2-carboxylic acid |
| Formula: | C12 H9 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 264.664 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-10-oxidanylidene-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H9ClN2O3/c13-7-3-6-4-9(12(17)18)15-2-1-10(16)14-8(5-7)11(6)15/h3-5H,1-2H2,(H,14,16)(H,17,18) |
| InChIKey | InChI | 1.06 | HGYKKLWOPKBBFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc2cc(Cl)cc3NC(=O)CCn1c23 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc2cc(Cl)cc3NC(=O)CCn1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2cc(n3c2c(cc1Cl)NC(=O)CC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2cc(n3c2c(cc1Cl)NC(=O)CC3)C(=O)O |
