JCQ
Summary
| Name: | (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate |
| Formula: | C12 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c1-16-11-4-2-3-9(5-11)8-17-12(15)10-6-13-14-7-10/h2-7H,8H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | FPKSPQNXHHFSNA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(COC(=O)c2c[nH]nc2)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(COC(=O)c2c[nH]nc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)COC(=O)c2c[nH]nc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)COC(=O)c2c[nH]nc2 |
