ethyl 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]butanoate

Systemtic Name: ethyl 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]butanoate Openeye Name: ethyl 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-pyridazin-1-yl]butanoate CAS Name: 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1-pyridazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]butanoate Traditional Name: 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-keto-pyridazin-1-yl]butyric acid ethyl ester Formula: C23H19Cl2N3O3 MolecularWeight: 456.32126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C23H19Cl2N3O3/c1-2-31-20(29)4-3-13-28-23(30)19(14-26)21(15-5-9-17(24)10-6-15)22(27-28)16-7-11-18(25)12-8-16/h5-12H,2-4,13H2,1H3