MT6
Summary
| Name: | methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate |
| Formula: | C15 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 269.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate |
| OpenEye OEToolkits | 1.9.2 | methyl 3-(4-oxidanylidene-5H-furo[3,2-c]pyridin-2-yl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3c(c1cc2c(o1)C=CNC2=O)cccc3C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C15H11NO4/c1-19-15(18)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8H,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | OVTGPKXYLOQTEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2 |
| SMILES | CACTVS | 3.385 | COC(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O |
