4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,3-tris(chloranyl)butane-1,1-diol

Systemtic Name: 4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,3-tris(chloranyl)butane-1,1-diol Openeye Name: 4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,3-trichlorobutane-1,1-diol CAS Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolone; 2,2,3-trichlorobutane-1,1-diol IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one; 2,2,3-trichlorobutane-1,1-diol Traditional Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 2,2,3-trichlorobutane-1,1-diol Formula: C15H20Cl3N3O3 MolecularWeight: 396.6966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.CC(C(C(O)O)(Cl)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.CC(C(C(O)O)(Cl)Cl)Cl

InChI

InChI=1S/C11H13N3O.C4H7Cl3O2/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;1-2(5)4(6,7)3(8)9/h3-7H,12H2,1-2H3;2-3,8-9H,1H3