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

Systemtic Name: (4E)-4-[(5-nitrofuran-2-yl)methylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-[(5-nitro-2-furyl)methylene]-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4E)-4-[(5-nitro-2-furanyl)methylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-[(5-nitrofuran-2-yl)methylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4E)-4-[(5-nitro-2-furyl)methylene]-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4/c1-2-6-15-14(11-13-9-10-16(24-13)20(22)23)17(21)19(18-15)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3/b14-11+