5GV
Summary
| Name: | (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid |
| Formula: | C11 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 220.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (2R)-2-ethyl-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(Nc2c(N1)cc(cc2)C(O)=O)CC |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | RSQRDVPENVGBIX-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]1Nc2ccc(cc2NC1=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH]1Nc2ccc(cc2NC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC[C@@H]1C(=O)Nc2cc(ccc2N1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC1C(=O)Nc2cc(ccc2N1)C(=O)O |
