4-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O4/c1-3-10-28-19-17(22)12-14(13-18(19)27-4-2)11-16-20(25)23-24(21(16)26)15-8-6-5-7-9-15/h1,5-9,11-13H,4,10H2,2H3,(H,23,25)