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

Systemtic Name: (4E)-2-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitro-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3,4-dichlorophenyl)-4-(4-methoxy-3-nitro-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C18H13Cl2N3O4 MolecularWeight: 406.21952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N3O4/c1-10-13(7-11-3-6-17(27-2)16(8-11)23(25)26)18(24)22(21-10)12-4-5-14(19)15(20)9-12/h3-9H,1-2H3/b13-7+