C29
Summary
| Name: | 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2ccc1c(OCCN1C)c2 |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c1-11-4-5-14-9-6-7(10(12)13)2-3-8(9)11/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | XWYHWMDBIRZPFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1CCOc2cc(ccc12)C(O)=O |
| SMILES | CACTVS | 3.370 | CN1CCOc2cc(ccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCOc2c1ccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCOc2c1ccc(c2)C(=O)O |
