3-[(4E)-4-[[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-4-[[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[[4-(2-ethoxy-2-oxo-ethoxy)-3-methoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[4-(2-ethoxy-2-keto-ethoxy)-3-methoxy-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC

InChI

InChI=1S/C23H22N2O7/c1-4-31-21(26)13-32-19-9-8-15(11-20(19)30-3)10-18-14(2)24-25(22(18)27)17-7-5-6-16(12-17)23(28)29/h5-12H,4,13H2,1-3H3,(H,28,29)/b18-10+