4-[2,6-bis(chloranyl)-4-(2H-pyran-6-yloxy)phenoxy]-2-imidazol-1-ylcarbonyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 4-[2,6-bis(chloranyl)-4-(2H-pyran-6-yloxy)phenoxy]-2-imidazol-1-ylcarbonyl-3-oxidanylidene-pentanenitrile Openeye Name: 4-[2,6-dichloro-4-(2H-pyran-6-yloxy)phenoxy]-2-(imidazole-1-carbonyl)-3-oxo-pentanenitrile CAS Name: 4-[2,6-dichloro-4-(2H-pyran-6-yloxy)phenoxy]-2-[1-imidazolyl(oxo)methyl]-3-oxopentanenitrile IUPAC Name: 4-[2,6-dichloro-4-(2H-pyran-6-yloxy)phenoxy]-2-(imidazole-1-carbonyl)-3-oxopentanenitrile Traditional Name: 4-[2,6-dichloro-4-(2H-pyran-6-yloxy)phenoxy]-2-(imidazole-1-carbonyl)-3-keto-valeronitrile Formula: C20H15Cl2N3O5 MolecularWeight: 448.2562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C#N)C(=O)N1C=CN=C1)OC2=C(C=C(C=C2Cl)OC3=CC=CCO3)Cl

Isomeric SMILES

CC(C(=O)C(C#N)C(=O)N1C=CN=C1)OC2=C(C=C(C=C2Cl)OC3=CC=CCO3)Cl

InChI

InChI=1S/C20H15Cl2N3O5/c1-12(18(26)14(10-23)20(27)25-6-5-24-11-25)29-19-15(21)8-13(9-16(19)22)30-17-4-2-3-7-28-17/h2-6,8-9,11-12,14H,7H2,1H3