3IO
Summary
| Name: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID |
| Formula: | C11 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 203.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(1H-indol-3-yl)-2-oxopropanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(1H-indol-3-yl)-2-oxo-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)Cc2c1ccccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Cc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) |
| InChIKey | InChI | 1.03 | RSTKLPZEZYGQPY-UHFFFAOYSA-N |
