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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC(=C(C=C3)OCC=C)OC)C(=N2)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC=C)OC)/C(=N2)C

InChI

InChI=1S/C22H21ClN2O3/c1-5-11-28-20-10-9-16(13-21(20)27-4)12-17-15(3)24-25(22(17)26)19-8-6-7-18(23)14(19)2/h5-10,12-13H,1,11H2,2-4H3/b17-12+