(4E)-2-(3,4-dimethylphenyl)-4-[[(4-iodophenyl)amino]methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-4-[[(4-iodophenyl)amino]methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-4-[(4-iodoanilino)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-4-[(4-iodoanilino)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-4-[(4-iodoanilino)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-4-[(4-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C19H18IN3O MolecularWeight: 431.27019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)I)C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/NC3=CC=C(C=C3)I)/C(=N2)C)C

InChI

InChI=1S/C19H18IN3O/c1-12-4-9-17(10-13(12)2)23-19(24)18(14(3)22-23)11-21-16-7-5-15(20)6-8-16/h4-11,21H,1-3H3/b18-11+