ISM
Summary
| Name: | 5-AMINO-2-(2-METHOXY-2-OXOETHYL)BENZOIC ACID |
| Formula: | C10 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 209.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-amino-2-(2-methoxy-2-oxoethyl)benzoic acid |
| OpenEye OEToolkits | 1.6.1 | 5-amino-2-(2-methoxy-2-oxo-ethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc(N)ccc1CC(=O)OC |
| SMILES_CANONICAL | CACTVS | 3.352 | COC(=O)Cc1ccc(N)cc1C(O)=O |
| SMILES | CACTVS | 3.352 | COC(=O)Cc1ccc(N)cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COC(=O)Cc1ccc(cc1C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | COC(=O)Cc1ccc(cc1C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO4/c1-15-9(12)4-6-2-3-7(11)5-8(6)10(13)14/h2-3,5H,4,11H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | NRWKEWXVSUGTJF-UHFFFAOYSA-N |
