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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=CC=CC=C3I)C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)/C(=C/NC3=CC=CC=C3I)/C(=N2)C)C

InChI

InChI=1S/C19H18IN3O/c1-12-8-9-18(13(2)10-12)23-19(24)15(14(3)22-23)11-21-17-7-5-4-6-16(17)20/h4-11,21H,1-3H3/b15-11+