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

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(oxidanylamino)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-4-[(hydroxyamino)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-4-[(hydroxyamino)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-4-[(hydroxyamino)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-4-[(hydroxyamino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CNO)C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/NO)/C(=N2)C)C

InChI

InChI=1S/C13H15N3O2/c1-8-4-5-11(6-9(8)2)16-13(17)12(7-14-18)10(3)15-16/h4-7,14,18H,1-3H3/b12-7+