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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCC(=O)O)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCC(=O)O)C#N)Cl

InChI

InChI=1S/C20H13Cl2N3O3/c21-14-5-1-12(2-6-14)18-16(11-23)20(28)25(10-9-17(26)27)24-19(18)13-3-7-15(22)8-4-13/h1-8H,9-10H2,(H,26,27)