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

Systemtic Name: ethyl 4-[(4E)-4-[(3-chloranyl-4,5-diethoxy-phenyl)methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-4-[(3-chloro-4,5-diethoxy-phenyl)methylene]-5-oxo-3-propyl-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-oxo-3-propyl-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-oxo-3-propylpyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(3-chloro-4,5-diethoxy-benzylidene)-5-keto-3-propyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C26H29ClN2O5 MolecularWeight: 484.97186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Cl)OCC)OCC)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)Cl)OCC)OCC)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H29ClN2O5/c1-5-9-22-20(14-17-15-21(27)24(33-7-3)23(16-17)32-6-2)25(30)29(28-22)19-12-10-18(11-13-19)26(31)34-8-4/h10-16H,5-9H2,1-4H3/b20-14+