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

Systemtic Name: (4E)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[(5-nitro-2-furyl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[(5-nitro-2-furanyl)methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[(5-nitro-2-furyl)methylene]-2-phenyl-2-pyrazolin-3-one Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O4/c1-10-13(9-12-7-8-14(22-12)18(20)21)15(19)17(16-10)11-5-3-2-4-6-11/h2-9H,1H3/b13-9+