1-(3,5-dimethyl-2-oxidanyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione

Systemtic Name: 1-(3,5-dimethyl-2-oxidanyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Openeye Name: 1-(2-hydroxy-3,5-dimethyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione CAS Name: 1-(2-hydroxy-3,5-dimethylphenyl)-3-(2-methyl-4-nitro-5-propyl-3-pyrazolyl)propane-1,3-dione IUPAC Name: 1-(2-hydroxy-3,5-dimethylphenyl)-3-(2-methyl-4-nitro-5-propylpyrazol-3-yl)propane-1,3-dione Traditional Name: 1-(2-hydroxy-3,5-dimethyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)CC(=O)C2=CC(=CC(=C2O)C)C)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)CC(=O)C2=CC(=CC(=C2O)C)C)C

InChI

InChI=1S/C18H21N3O5/c1-5-6-13-16(21(25)26)17(20(4)19-13)15(23)9-14(22)12-8-10(2)7-11(3)18(12)24/h7-8,24H,5-6,9H2,1-4H3