1-(3-chlorophenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-(3-chlorophenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-(3-chlorophenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-(3-chlorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-(3-chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-(3-chlorophenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)C2=CC(=CC=C2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)C2=CC(=CC=C2)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O3/c1-8-13(18(20)21)9(2)17(16-8)10(3)14(19)11-5-4-6-12(15)7-11/h4-7,10H,1-3H3