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

Systemtic Name: 4-[(4E)-4-[[3-ethoxy-4-(phenylcarbonyloxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-benzoyloxy-3-ethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(4-benzoyloxy-3-ethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(4-benzoyloxy-3-ethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(4-benzoyloxy-3-ethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C27H22N2O6 MolecularWeight: 470.47338

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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)OC(=O)C4=CC=CC=C4

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)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O6/c1-3-34-24-16-18(9-14-23(24)35-27(33)20-7-5-4-6-8-20)15-22-17(2)28-29(25(22)30)21-12-10-19(11-13-21)26(31)32/h4-16H,3H2,1-2H3,(H,31,32)/b22-15+