E1W
Summary
| Name: | 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one |
| Formula: | C12 H12 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 293.709 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12ClN5O2/c1-6-3-8-12(7(2)11(6)13)18(10(19)5-20-8)4-9-14-16-17-15-9/h3H,4-5H2,1-2H3,(H,14,15,16,17) |
| InChIKey | InChI | 1.03 | YZYWMDSEBRUKPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2OCC(=O)N(Cc3[nH]nnn3)c2c(C)c1Cl |
| SMILES | CACTVS | 3.385 | Cc1cc2OCC(=O)N(Cc3[nH]nnn3)c2c(C)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)Cc3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)Cc3[nH]nnn3 |
