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

Systemtic Name: 4-[(4E)-4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 4-[(4E)-4-[(4-ethoxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 4-[(4E)-4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(4-ethoxybenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C20H17N2O4- MolecularWeight: 349.35998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-3-26-17-10-4-14(5-11-17)12-18-13(2)21-22(19(18)23)16-8-6-15(7-9-16)20(24)25/h4-12H,3H2,1-2H3,(H,24,25)/p-1/b18-12+