(4E)-4-[(cyclopropylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(cyclopropylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-[(cyclopropylamino)methylene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4E)-4-[(cyclopropylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-[(cyclopropylamino)methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4E)-4-[(cyclopropylamino)methylene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/NC2CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c1-2-3-15-14(10-17-11-4-5-11)16(21)19(18-15)12-6-8-13(9-7-12)20(22)23/h6-11,17H,2-5H2,1H3/b14-10+