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

Systemtic Name: 4-[(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-bromo-5-methoxy-4-propargyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC#C

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC#C

InChI

InChI=1S/C20H15BrN2O4/c1-3-9-27-18-12-16(21)13(11-17(18)26-2)10-15-19(24)22-23(20(15)25)14-7-5-4-6-8-14/h1,4-8,10-12H,9H2,2H3,(H,22,24)