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

Systemtic Name: 4-[(4Z)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[(4-allyloxy-2-bromo-5-ethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-(4-allyloxy-2-bromo-5-ethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O5/c1-4-10-31-21-13-19(24)16(12-20(21)30-5-2)11-18-14(3)25-26(22(18)27)17-8-6-15(7-9-17)23(28)29/h4,6-9,11-13H,1,5,10H2,2-3H3,(H,28,29)/b18-11-