A1CPE
Summary
| Name: | (2R)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid |
| Formula: | C10 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 207.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-methyl-3-oxidanylidene-4~{H}-1,4-benzoxazine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C1(C)Oc2ccccc2NC1=O |
| InChI | InChI | 1.06 | InChI=1S/C10H9NO4/c1-10(9(13)14)8(12)11-6-4-2-3-5-7(6)15-10/h2-5H,1H3,(H,11,12)(H,13,14)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | HNDTULADLKGMDH-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(Oc2ccccc2NC1=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C]1(Oc2ccccc2NC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@]1(C(=O)Nc2ccccc2O1)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1(C(=O)Nc2ccccc2O1)C(=O)O |
