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

Systemtic Name: 1-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)-3-(5-methyl-2-oxidanyl-phenyl)propane-1,3-dione Openeye Name: 1-(2-hydroxy-5-methyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione CAS Name: 1-(2-hydroxy-5-methylphenyl)-3-(2-methyl-4-nitro-5-propyl-3-pyrazolyl)propane-1,3-dione IUPAC Name: 1-(2-hydroxy-5-methylphenyl)-3-(2-methyl-4-nitro-5-propylpyrazol-3-yl)propane-1,3-dione Traditional Name: 1-(2-hydroxy-5-methyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)propane-1,3-dione Formula: C17H19N3O5 MolecularWeight: 345.34986

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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)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-4-5-12-16(20(24)25)17(19(3)18-12)15(23)9-14(22)11-8-10(2)6-7-13(11)21/h6-8,21H,4-5,9H2,1-3H3