ethyl 4-[(4E)-4-[(2-chloranyl-4,5-diethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[(4E)-4-[(2-chloranyl-4,5-diethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-4-[(2-chloro-4,5-diethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(2-chloro-4,5-diethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-4-[(2-chloro-4,5-diethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(2-chloro-4,5-diethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C24H25ClN2O5 MolecularWeight: 456.9187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C)Cl)OCC

InChI

InChI=1S/C24H25ClN2O5/c1-5-30-21-13-17(20(25)14-22(21)31-6-2)12-19-15(4)26-27(23(19)28)18-10-8-16(9-11-18)24(29)32-7-3/h8-14H,5-7H2,1-4H3/b19-12+