(4E)-4-[(3-bromanyl-4-methoxy-phenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(3-bromanyl-4-methoxy-phenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(3-bromo-4-methoxy-phenyl)methylene]-2-(3,4-dichlorophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(3-bromo-4-methoxy-benzylidene)-2-(3,4-dichlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C18H13BrCl2N2O2 MolecularWeight: 440.11802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)Br)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC)Br)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13BrCl2N2O2/c1-10-13(7-11-3-6-17(25-2)14(19)8-11)18(24)23(22-10)12-4-5-15(20)16(21)9-12/h3-9H,1-2H3/b13-7+