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

Systemtic Name: methyl 4-[(4E)-4-[(3-chloranyl-4,5-diethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: methyl 4-[(4E)-4-[(3-chloro-4,5-diethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4E)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(3-chloro-4,5-diethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid methyl ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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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)C)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O5/c1-5-30-20-13-15(12-19(24)21(20)31-6-2)11-18-14(3)25-26(22(18)27)17-9-7-16(8-10-17)23(28)29-4/h7-13H,5-6H2,1-4H3/b18-11+