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

Systemtic Name: (4E)-5-methyl-4-[[5-(4-methyl-3-nitro-phenyl)furan-2-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[5-(4-methyl-3-nitro-phenyl)-2-furyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[5-(4-methyl-3-nitrophenyl)-2-furanyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[[5-(4-methyl-3-nitro-phenyl)-2-furyl]methylene]-2-phenyl-2-pyrazolin-3-one Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4/c1-14-8-9-16(12-20(14)25(27)28)21-11-10-18(29-21)13-19-15(2)23-24(22(19)26)17-6-4-3-5-7-17/h3-13H,1-2H3/b19-13+