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

Systemtic Name: 1-(5-chloranyl-2-oxidanyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Openeye Name: 1-(5-chloro-2-hydroxy-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione CAS Name: 1-(5-chloro-2-hydroxyphenyl)-3-(2-methyl-4-nitro-5-propyl-3-pyrazolyl)propane-1,3-dione IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-3-(2-methyl-4-nitro-5-propylpyrazol-3-yl)propane-1,3-dione Traditional Name: 1-(5-chloro-2-hydroxy-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Formula: C16H16ClN3O5 MolecularWeight: 365.76834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O5/c1-3-4-11-15(20(24)25)16(19(2)18-11)14(23)8-13(22)10-7-9(17)5-6-12(10)21/h5-7,21H,3-4,8H2,1-2H3