(4E)-5-ethyl-4-[(5-nitrofuran-2-yl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-ethyl-4-[(5-nitrofuran-2-yl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-ethyl-4-[(5-nitro-2-furyl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-ethyl-4-[(5-nitro-2-furanyl)methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-ethyl-4-[(5-nitrofuran-2-yl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-ethyl-4-[(5-nitro-2-furyl)methylene]-2-phenyl-2-pyrazolin-3-one Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC\1=NN(C(=O)/C1=C/C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O4/c1-2-14-13(10-12-8-9-15(23-12)19(21)22)16(20)18(17-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3/b13-10+