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

Systemtic Name: 4-[(4E)-4-[[4-(cyanomethoxy)-3-ethoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[4-(cyanomethoxy)-3-ethoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[4-(cyanomethoxy)-3-ethoxy-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H19N3O5 MolecularWeight: 405.40336

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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)O)C)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O5/c1-3-29-20-13-15(4-9-19(20)30-11-10-23)12-18-14(2)24-25(21(18)26)17-7-5-16(6-8-17)22(27)28/h4-9,12-13H,3,11H2,1-2H3,(H,27,28)/b18-12+