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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-4-5-20-19(14-15-6-8-16(9-7-15)23(2)3)21(26)24(22-20)17-10-12-18(13-11-17)25(27)28/h6-14H,4-5H2,1-3H3/b19-14+