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

Systemtic Name: 1-(5-chloranyl-4-methyl-2-oxidanyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Openeye Name: 1-(5-chloro-2-hydroxy-4-methyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione CAS Name: 1-(5-chloro-2-hydroxy-4-methylphenyl)-3-(2-methyl-4-nitro-5-propyl-3-pyrazolyl)propane-1,3-dione IUPAC Name: 1-(5-chloro-2-hydroxy-4-methylphenyl)-3-(2-methyl-4-nitro-5-propylpyrazol-3-yl)propane-1,3-dione Traditional Name: 1-(5-chloro-2-hydroxy-4-methyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5/c1-4-5-12-16(21(25)26)17(20(3)19-12)15(24)8-14(23)10-7-11(18)9(2)6-13(10)22/h6-7,22H,4-5,8H2,1-3H3