KW7
Summary
| Name: | methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate |
| Formula: | C12 H11 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 234.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate |
| OpenEye OEToolkits | 2.0.6 | methyl 3-azanyl-4-(2-fluorophenyl)-1~{H}-pyrrole-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(c1cnc(C(=O)OC)c1N)c(F)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11FN2O2/c1-17-12(16)11-10(14)8(6-15-11)7-4-2-3-5-9(7)13/h2-6,15H,14H2,1H3 |
| InChIKey | InChI | 1.03 | GWTUPBOJWRLEIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1[nH]cc(c1N)c2ccccc2F |
| SMILES | CACTVS | 3.385 | COC(=O)c1[nH]cc(c1N)c2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1c(c(c[nH]1)c2ccccc2F)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1c(c(c[nH]1)c2ccccc2F)N |
