VNE
Summary
Name: | (3-methoxyphenyl)-pyrrol-1-yl-methanone |
Formula: | C12 H11 N O2 |
Formal charge: | 0 |
Formula weight: | 201.221 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (3-methoxyphenyl)-pyrrol-1-yl-methanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C12H11NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h2-9H,1H3 |
InChIKey | InChI | 1.06 | ZOOZENPHQZOTKS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)C(=O)n2cccc2 |
SMILES | CACTVS | 3.385 | COc1cccc(c1)C(=O)n2cccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)C(=O)n2cccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)C(=O)n2cccc2 |