(4E)-4-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one

Systemtic Name: (4E)-4-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one CAS Name: (4E)-4-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-5-methyl-2-(4-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-(4-allyloxy-3-chloro-5-methoxy-benzylidene)-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC=C)OC)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC=C)OC)/C(=N2)C

InChI

InChI=1S/C22H21ClN2O3/c1-5-10-28-21-19(23)12-16(13-20(21)27-4)11-18-15(3)24-25(22(18)26)17-8-6-14(2)7-9-17/h5-9,11-13H,1,10H2,2-4H3/b18-11+