4-[(4Z)-4-[(3-ethoxy-4-propoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[(3-ethoxy-4-propoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[(3-ethoxy-4-propoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-(3-ethoxy-4-propoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OCC

InChI

InChI=1S/C23H24N2O5/c1-4-12-30-20-11-6-16(14-21(20)29-5-2)13-19-15(3)24-25(22(19)26)18-9-7-17(8-10-18)23(27)28/h6-11,13-14H,4-5,12H2,1-3H3,(H,27,28)/b19-13-