(4Z)-5-methyl-4-[(5-nitro-2-propoxy-phenyl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-4-[(5-nitro-2-propoxy-phenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-5-methyl-4-[(5-nitro-2-propoxy-phenyl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-5-methyl-4-[(5-nitro-2-propoxyphenyl)methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-5-methyl-4-[(5-nitro-2-propoxyphenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-methyl-4-(5-nitro-2-propoxy-benzylidene)-2-phenyl-2-pyrazolin-3-one Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O4/c1-3-11-27-19-10-9-17(23(25)26)12-15(19)13-18-14(2)21-22(20(18)24)16-7-5-4-6-8-16/h4-10,12-13H,3,11H2,1-2H3/b18-13-