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

Systemtic Name: 3-[(4E)-4-[(4-ethoxy-3-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(4-ethoxy-3-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-(4-ethoxy-3-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-4-28-18-9-8-14(11-19(18)27-3)10-17-13(2)22-23(20(17)24)16-7-5-6-15(12-16)21(25)26/h5-12H,4H2,1-3H3,(H,25,26)/b17-10+