(4R)-1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazole-4-carbaldehyde

Systemtic Name: (4R)-1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazole-4-carbaldehyde Openeye Name: (4R)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazole-4-carbaldehyde CAS Name: (4R)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazole-4-carboxaldehyde IUPAC Name: (4R)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazole-4-carbaldehyde Traditional Name: (4R)-1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazoline-4-carbaldehyde Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@H](C(=N2)C)C=O)C

InChI

InChI=1S/C13H14N2O2/c1-8-4-5-11(6-9(8)2)15-13(17)12(7-16)10(3)14-15/h4-7,12H,1-3H3/t12-/m0/s1