4-(2-chloranylethanoyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-(2-chloranylethanoyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-(2-chloro-1-oxoethyl)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(2-chloroacetyl)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CCl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CCl

InChI

InChI=1S/C13H13ClN2O2/c1-9-12(11(17)8-14)13(18)16(15(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3