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

Systemtic Name: (4Z)-4-[[4-(dimethylamino)-3-nitro-phenyl]methylidene]-2-(4-ethylphenyl)-5-methyl-pyrazol-3-one Openeye Name: (4Z)-4-[[4-(dimethylamino)-3-nitro-phenyl]methylene]-2-(4-ethylphenyl)-5-methyl-pyrazol-3-one CAS Name: (4Z)-4-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-2-(4-ethylphenyl)-5-methyl-3-pyrazolone IUPAC Name: (4Z)-4-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-2-(4-ethylphenyl)-5-methylpyrazol-3-one Traditional Name: (4Z)-4-[4-(dimethylamino)-3-nitro-benzylidene]-2-(4-ethylphenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C(=N2)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])/C(=N2)C

InChI

InChI=1S/C21H22N4O3/c1-5-15-6-9-17(10-7-15)24-21(26)18(14(2)22-24)12-16-8-11-19(23(3)4)20(13-16)25(27)28/h6-13H,5H2,1-4H3/b18-12-