(4E)-4-[(4-chlorophenyl)methylidene]-5-morpholin-4-yl-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: (4E)-4-[(4-chlorophenyl)methylidene]-5-morpholin-4-yl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: (4E)-4-[(4-chlorophenyl)methylene]-5-morpholino-2-(4-nitrophenyl)pyrazol-3-one CAS Name: (4E)-4-[(4-chlorophenyl)methylidene]-5-(4-morpholinyl)-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(4-chlorophenyl)methylidene]-5-morpholin-4-yl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: (4E)-4-(4-chlorobenzylidene)-5-morpholino-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C20H17ClN4O4 MolecularWeight: 412.82638

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN(C(=O)C2=CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C\2=NN(C(=O)/C2=C/C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O4/c21-15-3-1-14(2-4-15)13-18-19(23-9-11-29-12-10-23)22-24(20(18)26)16-5-7-17(8-6-16)25(27)28/h1-8,13H,9-12H2/b18-13+