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

Systemtic Name: methyl 4-[(4Z)-4-[(3-chloranyl-4,5-diethoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate Openeye Name: methyl 4-[(4Z)-4-[(3-chloro-4,5-diethoxy-phenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4Z)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-(3-chloro-4,5-diethoxy-benzylidene)-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid methyl ester Formula: C28H25ClN2O5 MolecularWeight: 504.9615

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4)Cl)OCC

InChI

InChI=1S/C28H25ClN2O5/c1-4-35-24-17-18(16-23(29)26(24)36-5-2)15-22-25(19-9-7-6-8-10-19)30-31(27(22)32)21-13-11-20(12-14-21)28(33)34-3/h6-17H,4-5H2,1-3H3/b22-15-