| PDB CCD ID: | KLU |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C11 H11 Cl N2 O3 |
| InChI: | 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: | ARXMOGIPJRHYNG-VIFPVBQESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)N(CC(O2)C(=O)N)C(=O)CCl | | CACTVS 3.385 | NC(=O)[CH]1CN(C(=O)CCl)c2ccccc2O1 | | ACDLabs 12.01 | ClCC(=O)N1CC(Oc2ccccc21)C(N)=O | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)N(C[C@H](O2)C(=O)N)C(=O)CCl | | CACTVS 3.385 | NC(=O)[C@@H]1CN(C(=O)CCl)c2ccccc2O1 |
|
| Name: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| ZINC: | ZINC000008939853 |
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