QUB
Summary
| Name: | (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine |
| Formula: | C13 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 212.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine |
| OpenEye OEToolkits | 1.7.6 | N-prop-2-enoxy-1-quinolin-4-yl-methanimine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(\N=C\c1c2ccccc2ncc1)C\C=C |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2O/c1-2-9-16-15-10-11-7-8-14-13-6-4-3-5-12(11)13/h2-8,10H,1,9H2/b15-10+ |
| InChIKey | InChI | 1.03 | QNCJWFLSMPZQBD-XNTDXEJSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=CCO\N=C\c1ccnc2ccccc12 |
| SMILES | CACTVS | 3.385 | C=CCON=Cc1ccnc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CCO/N=C/c1ccnc2c1cccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=CCON=Cc1ccnc2c1cccc2 |
