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

Systemtic Name: ethyl 4-[5-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-furyl]benzoic acid ethyl ester Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H20N2O4/c1-3-29-24(28)18-11-9-17(10-12-18)22-14-13-20(30-22)15-21-16(2)25-26(23(21)27)19-7-5-4-6-8-19/h4-15H,3H2,1-2H3/b21-15-