2-chloranyl-3-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-benzaldehyde

Systemtic Name: 2-chloranyl-3-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-benzaldehyde Openeye Name: 2-chloro-3-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-benzaldehyde CAS Name: 2-chloro-3-[(2-methyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]-6-methylsulfonylbenzaldehyde IUPAC Name: 2-chloro-3-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonylbenzaldehyde Traditional Name: 2-chloro-3-(5-keto-1-methyl-3-pyrazoline-4-carbonyl)-6-mesyl-benzaldehyde Formula: C13H11ClN2O5S MolecularWeight: 342.75484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C=O)Cl

Isomeric SMILES

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C=O)Cl

InChI

InChI=1S/C13H11ClN2O5S/c1-16-13(19)8(5-15-16)12(18)7-3-4-10(22(2,20)21)9(6-17)11(7)14/h3-6,15H,1-2H3