ethyl 4-[5-[(E)-2-(5-cyano-4-methyl-6-oxidanylidene-1H-pyridazin-3-yl)ethenyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-(5-cyano-4-methyl-6-oxidanylidene-1H-pyridazin-3-yl)ethenyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-(5-cyano-4-methyl-6-oxo-1H-pyridazin-3-yl)vinyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-(5-cyano-4-methyl-6-oxo-1H-pyridazin-3-yl)ethenyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-(5-cyano-4-methyl-6-oxo-1H-pyridazin-3-yl)ethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-(5-cyano-6-keto-4-methyl-1H-pyridazin-3-yl)vinyl]-2-furyl]benzoic acid ethyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NNC(=O)C(=C3C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C3=NNC(=O)C(=C3C)C#N

InChI

InChI=1S/C21H17N3O4/c1-3-27-21(26)15-6-4-14(5-7-15)19-11-9-16(28-19)8-10-18-13(2)17(12-22)20(25)24-23-18/h4-11H,3H2,1-2H3,(H,24,25)/b10-8+