4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one Formula: C15H16FN3O3 MolecularWeight: 305.304243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)C2=CC=C(C=C2)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)C2=CC=C(C=C2)F)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16FN3O3/c1-10-15(19(21)22)11(2)18(17-10)9-3-4-14(20)12-5-7-13(16)8-6-12/h5-8H,3-4,9H2,1-2H3