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

Systemtic Name: 4-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(5-bromo-2-prop-2-ynoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(5-bromo-2-propargyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C19H13BrN2O3 MolecularWeight: 397.22212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O3/c1-2-10-25-17-9-8-14(20)11-13(17)12-16-18(23)21-22(19(16)24)15-6-4-3-5-7-15/h1,3-9,11-12H,10H2,(H,21,23)