4-[(4E)-4-[(4-acetyloxy-3-ethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 4-[(4E)-4-[(4-acetyloxy-3-ethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 4-[(4E)-4-[(4-acetoxy-3-ethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 4-[(4E)-4-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(4-acetoxy-3-ethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C22H19N2O6- MolecularWeight: 407.39606

Click to see the large picture

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)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C)OC(=O)C

InChI

InChI=1S/C22H20N2O6/c1-4-29-20-12-15(5-10-19(20)30-14(3)25)11-18-13(2)23-24(21(18)26)17-8-6-16(7-9-17)22(27)28/h5-12H,4H2,1-3H3,(H,27,28)/p-1/b18-11+