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

Systemtic Name: butyl 2-chloranyl-5-[5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoate Openeye Name: butyl 2-chloro-5-[5-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 2-chloro-5-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-furyl]benzoic acid butyl ester Formula: C26H23ClN2O4 MolecularWeight: 462.92482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O4/c1-3-4-14-32-26(31)22-15-18(10-12-23(22)27)24-13-11-20(33-24)16-21-17(2)28-29(25(21)30)19-8-6-5-7-9-19/h5-13,15-16H,3-4,14H2,1-2H3/b21-16+