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

Systemtic Name: (4E)-4-[[(2-ethylphenyl)amino]methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-[(2-ethylanilino)methylene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4E)-4-[(2-ethylanilino)methylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-[(2-ethylanilino)methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4E)-4-[(2-ethylanilino)methylene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2=CC=CC=C2CC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2CC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-3-7-20-18(14-22-19-9-6-5-8-15(19)4-2)21(26)24(23-20)16-10-12-17(13-11-16)25(27)28/h5-6,8-14,22H,3-4,7H2,1-2H3/b18-14+