EQ2
Summary
| Name: | 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid |
| Formula: | C14 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 254.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H10N2O3/c1-7(17)12-13-9(6-11(16-12)14(18)19)8-4-2-3-5-10(8)15-13/h2-6,15H,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | RMLMLEMGHAUXDM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1nc(cc2c1[nH]c3ccccc23)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)c1nc(cc2c1[nH]c3ccccc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2 |
