6BL
Summary
| Name: | 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one |
| Formula: | C11 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 200.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one |
| OpenEye OEToolkits | 2.0.4 | 1-methyl-3~{H}-isochromeno[3,4-c]pyrazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc3c2c1c(cccc1)C(=O)Oc2nn3 |
| InChI | InChI | 1.03 | InChI=1S/C11H8N2O2/c1-6-9-7-4-2-3-5-8(7)11(14)15-10(9)13-12-6/h2-5H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | UNIATRJVNFDJDH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n[nH]c2OC(=O)c3ccccc3c12 |
| SMILES | CACTVS | 3.385 | Cc1n[nH]c2OC(=O)c3ccccc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
