KLU
Summary
| Name: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Formula: | C11 H11 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 254.67 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-(2-chloranylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClCC(=O)N1CC(Oc2ccccc21)C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | ARXMOGIPJRHYNG-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H]1CN(C(=O)CCl)c2ccccc2O1 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CN(C(=O)CCl)c2ccccc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(C[C@H](O2)C(=O)N)C(=O)CCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(CC(O2)C(=O)N)C(=O)CCl |
