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

Systemtic Name: 4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-ethoxy-4-propargyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H18N2O4 MolecularWeight: 362.37862

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-3-12-27-18-11-10-15(14-19(18)26-4-2)13-17-20(24)22-23(21(17)25)16-8-6-5-7-9-16/h1,5-11,13-14H,4,12H2,2H3,(H,22,24)