ethyl 4-[(4E)-4-[[3-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-[[3-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-[[3-ethoxy-4-(2-isopropoxy-2-oxo-ethoxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[[3-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-[[3-ethoxy-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-[3-ethoxy-4-(2-isopropoxy-2-keto-ethoxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C27H30N2O7 MolecularWeight: 494.5363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O7/c1-6-33-24-15-19(8-13-23(24)35-16-25(30)36-17(3)4)14-22-18(5)28-29(26(22)31)21-11-9-20(10-12-21)27(32)34-7-2/h8-15,17H,6-7,16H2,1-5H3/b22-14+