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

Systemtic Name: 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]butanoic acid Openeye Name: 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-pyridazin-1-yl]butanoic acid CAS Name: 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1-pyridazinyl]butanoic acid IUPAC Name: 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]butanoic acid Traditional Name: 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-keto-pyridazin-1-yl]butyric acid Formula: C21H15Cl2N3O3 MolecularWeight: 428.2681

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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)CCCC(=O)O)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15Cl2N3O3/c22-15-7-3-13(4-8-15)19-17(12-24)21(29)26(11-1-2-18(27)28)25-20(19)14-5-9-16(23)10-6-14/h3-10H,1-2,11H2,(H,27,28)