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

Systemtic Name: 4-[(4Z)-4-[[5-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[5-bromo-2-(2-ethoxy-2-oxo-ethoxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[5-bromo-2-(2-ethoxy-2-keto-ethoxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H19BrN2O6 MolecularWeight: 487.30006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O6/c1-3-30-20(26)12-31-19-9-6-16(23)10-15(19)11-18-13(2)24-25(21(18)27)17-7-4-14(5-8-17)22(28)29/h4-11H,3,12H2,1-2H3,(H,28,29)/b18-11-