methyl 4-[5-[(Z)-(5-oxidanylidene-3-phenyl-1H-pyrazol-4-ylidene)methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[(Z)-(5-oxidanylidene-3-phenyl-1H-pyrazol-4-ylidene)methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(Z)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(Z)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-(3-keto-5-phenyl-2-pyrazolin-4-ylidene)methyl]-2-furyl]benzoic acid methyl ester Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NNC3=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=NNC3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O4/c1-27-22(26)16-9-7-14(8-10-16)19-12-11-17(28-19)13-18-20(23-24-21(18)25)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,25)/b18-13-