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

Systemtic Name: 3-[(4E)-4-[[2-bromanyl-5-ethoxy-4-(2-oxidanylidene-2-propan-2-yloxy-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[[2-bromo-5-ethoxy-4-(2-isopropoxy-2-oxo-ethoxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[[2-bromo-5-ethoxy-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[[2-bromo-5-ethoxy-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[2-bromo-5-ethoxy-4-(2-isopropoxy-2-keto-ethoxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H25BrN2O7 MolecularWeight: 545.3792

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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)Br)OCC(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O7/c1-5-33-21-11-17(20(26)12-22(21)34-13-23(29)35-14(2)3)10-19-15(4)27-28(24(19)30)18-8-6-7-16(9-18)25(31)32/h6-12,14H,5,13H2,1-4H3,(H,31,32)/b19-10+