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

Systemtic Name: ethyl 4-[(4E)-4-[[2-bromanyl-5-ethoxy-4-(2-oxidanylidene-2-propan-2-yloxy-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-4-[[2-bromo-5-ethoxy-4-(2-isopropoxy-2-oxo-ethoxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[[2-bromo-5-ethoxy-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-4-[[2-bromo-5-ethoxy-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-[2-bromo-5-ethoxy-4-(2-isopropoxy-2-keto-ethoxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C27H29BrN2O7 MolecularWeight: 573.43236

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN2O7/c1-6-34-23-13-19(22(28)14-24(23)36-15-25(31)37-16(3)4)12-21-17(5)29-30(26(21)32)20-10-8-18(9-11-20)27(33)35-7-2/h8-14,16H,6-7,15H2,1-5H3/b21-12+