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

Systemtic Name: (4E)-2-(3-chloranyl-4-methyl-phenyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3-chloro-4-methyl-phenyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3-chloro-4-methylphenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3-chloro-4-methylphenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3-chloro-4-methyl-phenyl)-4-(4,5-dimethoxy-2-nitro-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(=N2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)/C(=N2)C)Cl

InChI

InChI=1S/C20H18ClN3O5/c1-11-5-6-14(9-16(11)21)23-20(25)15(12(2)22-23)7-13-8-18(28-3)19(29-4)10-17(13)24(26)27/h5-10H,1-4H3/b15-7+