(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(5-chloranyl-2-nitro-phenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(5-chloranyl-2-nitro-phenyl)-5-methyl-pyrazol-3-one Openeye Name: (4Z)-4-[(4-tert-butylphenyl)methylene]-2-(5-chloro-2-nitro-phenyl)-5-methyl-pyrazol-3-one CAS Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(5-chloro-2-nitrophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(5-chloro-2-nitrophenyl)-5-methylpyrazol-3-one Traditional Name: (4Z)-4-(4-tert-butylbenzylidene)-2-(5-chloro-2-nitro-phenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c1-13-17(11-14-5-7-15(8-6-14)21(2,3)4)20(26)24(23-13)19-12-16(22)9-10-18(19)25(27)28/h5-12H,1-4H3/b17-11-