JAX
Summary
| Name: | (E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid |
| Formula: | C12 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 217.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-(1~{H}-indol-3-yl)-2-oxidanyl-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-6,13-14H,1H3,(H,15,16)/b11-7+ |
| InChIKey | InChI | 1.03 | PPGRYTGRWGDNAP-YRNVUSSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(=C(O)\C(O)=O)c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | CC(=C(O)C(O)=O)c1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C(/C(=O)O)\O)/c1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=C(C(=O)O)O)c1c[nH]c2c1cccc2 |
