[(E)-[6-cyano-1-(phenylcarbonyl)pyridazin-4-ylidene]-phenyl-methyl] benzoate

Systemtic Name: [(E)-[6-cyano-1-(phenylcarbonyl)pyridazin-4-ylidene]-phenyl-methyl] benzoate Openeye Name: [(E)-(1-benzoyl-6-cyano-pyridazin-4-ylidene)-phenyl-methyl] benzoate CAS Name: benzoic acid [(E)-(1-benzoyl-6-cyano-4-pyridazinylidene)-phenylmethyl] ester IUPAC Name: [(E)-(1-benzoyl-6-cyanopyridazin-4-ylidene)-phenylmethyl] benzoate Traditional Name: benzoic acid [(E)-(1-benzoyl-6-cyano-pyridazin-4-ylidene)-phenyl-methyl] ester Formula: C26H17N3O3 MolecularWeight: 419.43148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C=C(N(N=C2)C(=O)C3=CC=CC=C3)C#N)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C=C(N(N=C2)C(=O)C3=CC=CC=C3)C#N)/OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H17N3O3/c27-17-23-16-22(18-28-29(23)25(30)20-12-6-2-7-13-20)24(19-10-4-1-5-11-19)32-26(31)21-14-8-3-9-15-21/h1-16,18H/b24-22+