(2-ethanoyl-3,5-dimethyl-phenyl) 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate

Systemtic Name: (2-ethanoyl-3,5-dimethyl-phenyl) 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate Openeye Name: (2-acetyl-3,5-dimethyl-phenyl) 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate CAS Name: 2-methyl-4-nitro-5-propyl-3-pyrazolecarboxylic acid (2-acetyl-3,5-dimethylphenyl) ester IUPAC Name: (2-acetyl-3,5-dimethylphenyl) 2-methyl-4-nitro-5-propylpyrazole-3-carboxylate Traditional Name: 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylic acid (2-acetyl-3,5-dimethyl-phenyl) ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)OC2=CC(=CC(=C2C(=O)C)C)C)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)OC2=CC(=CC(=C2C(=O)C)C)C)C

InChI

InChI=1S/C18H21N3O5/c1-6-7-13-16(21(24)25)17(20(5)19-13)18(23)26-14-9-10(2)8-11(3)15(14)12(4)22/h8-9H,6-7H2,1-5H3