(4Z)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(4-allyloxy-2-bromo-5-ethoxy-phenyl)methylene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: (4Z)-4-(4-allyloxy-2-bromo-5-ethoxy-benzylidene)-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C27H22BrN3O5 MolecularWeight: 548.38468

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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)[N+](=O)[O-])C4=CC=CC=C4)Br)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrN3O5/c1-3-14-36-25-17-23(28)19(16-24(25)35-4-2)15-22-26(18-8-6-5-7-9-18)29-30(27(22)32)20-10-12-21(13-11-20)31(33)34/h3,5-13,15-17H,1,4,14H2,2H3/b22-15-