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

Systemtic Name: (4Z)-5-methyl-4-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-5-methyl-4-[(4-morpholino-3-nitro-phenyl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-5-methyl-4-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-5-methyl-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-methyl-4-(4-morpholino-3-nitro-benzylidene)-2-phenyl-2-pyrazolin-3-one Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c1-15-18(21(26)24(22-15)17-5-3-2-4-6-17)13-16-7-8-19(20(14-16)25(27)28)23-9-11-29-12-10-23/h2-8,13-14H,9-12H2,1H3/b18-13-