2-(3-nitrophenyl)-10-oxotetrahydro-8a,4-(epiminomethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-(3-nitrophenyl)-10-oxotetrahydro-8a,4-(epiminomethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
2-(3-nitrophenyl)-10-oxotetrahydro-8a,4-(epiminomethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8019-9536 |
| Compound Name: | 2-(3-nitrophenyl)-10-oxotetrahydro-8a,4-(epiminomethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 377.36 |
| Molecular Formula: | C19 H15 N5 O4 |
| Smiles: | C1CCC23C(C1)C(C#N)(C(N2)=O)C(C#N)(C#N)C(c1cccc(c1)[N+]([O-])=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4411 |
| logD: | 2.4411 |
| logSw: | -2.8765 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.795 |
| InChI Key: | VQQKMYWIKXMBRK-UHFFFAOYSA-N |