methyl 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C20H13Cl2N3O3 MolecularWeight: 414.24152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H13Cl2N3O3/c1-28-17(26)11-25-20(27)16(10-23)18(12-2-6-14(21)7-3-12)19(24-25)13-4-8-15(22)9-5-13/h2-9H,11H2,1H3