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

Systemtic Name: 4-[(2-bromanyl-3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(2-bromo-3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(2-bromo-3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(2-bromo-3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-bromo-3-chloro-5-ethoxy-4-propargyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H16BrClN2O4 MolecularWeight: 475.71974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrClN2O4/c1-3-10-29-19-16(28-4-2)12-13(17(22)18(19)23)11-15-20(26)24-25(21(15)27)14-8-6-5-7-9-14/h1,5-9,11-12H,4,10H2,2H3,(H,24,26)