64R
Summary
| Name: | (2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one |
| Formula: | C10 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 177.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one |
| OpenEye OEToolkits | 2.0.4 | (2~{R})-2,6-dimethyl-4~{H}-1,4-benzoxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(C)ccc2c1NC(C(O2)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO2/c1-6-3-4-9-8(5-6)11-10(12)7(2)13-9/h3-5,7H,1-2H3,(H,11,12)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | AUNQUXZPFSCXMN-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1Oc2ccc(C)cc2NC1=O |
| SMILES | CACTVS | 3.385 | C[CH]1Oc2ccc(C)cc2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccc2c(c1)NC(=O)[C@H](O2)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccc2c(c1)NC(=O)C(O2)C |
