1K5
Summary
| Name: | (9-oxoacridin-10(9H)-yl)acetic acid |
| Formula: | C15 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 253.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (9-oxoacridin-10(9H)-yl)acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(9-oxidanylideneacridin-10-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CN3c1ccccc1C(=O)c2c3cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18) |
| InChIKey | InChI | 1.03 | UOMKBIIXHQIERR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CN1c2ccccc2C(=O)c3ccccc13 |
| SMILES | CACTVS | 3.370 | OC(=O)CN1c2ccccc2C(=O)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O |
