(4E)-4-[[3-bromanyl-4-(2,4-dinitrophenoxy)-5-ethoxy-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[3-bromanyl-4-(2,4-dinitrophenoxy)-5-ethoxy-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-bromo-4-(2,4-dinitrophenoxy)-5-ethoxy-phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[3-bromo-4-(2,4-dinitrophenoxy)-5-ethoxyphenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[3-bromo-4-(2,4-dinitrophenoxy)-5-ethoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[3-bromo-4-(2,4-dinitrophenoxy)-5-ethoxy-benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C25H19BrN4O7 MolecularWeight: 567.34496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Br)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H19BrN4O7/c1-3-36-23-13-16(11-19-15(2)27-28(25(19)31)17-7-5-4-6-8-17)12-20(26)24(23)37-22-10-9-18(29(32)33)14-21(22)30(34)35/h4-14H,3H2,1-2H3/b19-11+