(4E)-2-(4-nitrophenyl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: (4E)-2-(4-nitrophenyl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(4-nitrophenyl)-5-phenyl-4-[(tetrahydrofuran-2-ylmethylamino)methylene]pyrazol-3-one CAS Name: (4E)-2-(4-nitrophenyl)-4-[(2-oxolanylmethylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(4-nitrophenyl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-2-(4-nitrophenyl)-5-phenyl-4-[(tetrahydrofurfurylamino)methylene]-2-pyrazolin-3-one Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CN/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c26-21-19(14-22-13-18-7-4-12-29-18)20(15-5-2-1-3-6-15)23-24(21)16-8-10-17(11-9-16)25(27)28/h1-3,5-6,8-11,14,18,22H,4,7,12-13H2/b19-14+