4-iodanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-iodanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-iodo-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-iodo-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-iodo-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C11H11IN2O MolecularWeight: 313.123044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)N(N1[11CH3])C2=CC=CC=C2)I

InChI

InChI=1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3/i2-1