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

Systemtic Name: 1-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Openeye Name: 1-(3,5-dichloro-2-hydroxy-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione CAS Name: 1-(3,5-dichloro-2-hydroxyphenyl)-3-(2-methyl-4-nitro-5-propyl-3-pyrazolyl)propane-1,3-dione IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)-3-(2-methyl-4-nitro-5-propylpyrazol-3-yl)propane-1,3-dione Traditional Name: 1-(3,5-dichloro-2-hydroxy-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Formula: C16H15Cl2N3O5 MolecularWeight: 400.2134

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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)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2N3O5/c1-3-4-11-14(21(25)26)15(20(2)19-11)13(23)7-12(22)9-5-8(17)6-10(18)16(9)24/h5-6,24H,3-4,7H2,1-2H3