1-(2,4-dimethyl-6-oxidanyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione

Systemtic Name: 1-(2,4-dimethyl-6-oxidanyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Openeye Name: 1-(2-hydroxy-4,6-dimethyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione CAS Name: 1-(2-hydroxy-4,6-dimethylphenyl)-3-(2-methyl-4-nitro-5-propyl-3-pyrazolyl)propane-1,3-dione IUPAC Name: 1-(2-hydroxy-4,6-dimethylphenyl)-3-(2-methyl-4-nitro-5-propylpyrazol-3-yl)propane-1,3-dione Traditional Name: 1-(2-hydroxy-4,6-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=C(C=C(C=C2O)C)C)C

Isomeric SMILES

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

InChI

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