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

Systemtic Name: butyl 4-[5-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/C26H24N2O4/c1-3-4-16-31-26(30)20-12-10-19(11-13-20)24-15-14-22(32-24)17-23-18(2)27-28(25(23)29)21-8-6-5-7-9-21/h5-15,17H,3-4,16H2,1-2H3/b23-17-