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

Systemtic Name: (4-chloranyl-2-ethanoyl-5-methyl-phenyl) 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate Openeye Name: (2-acetyl-4-chloro-5-methyl-phenyl) 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate CAS Name: 2-methyl-4-nitro-5-propyl-3-pyrazolecarboxylic acid (2-acetyl-4-chloro-5-methylphenyl) ester IUPAC Name: (2-acetyl-4-chloro-5-methylphenyl) 2-methyl-4-nitro-5-propylpyrazole-3-carboxylate Traditional Name: 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylic acid (2-acetyl-4-chloro-5-methyl-phenyl) ester Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5/c1-5-6-13-15(21(24)25)16(20(4)19-13)17(23)26-14-7-9(2)12(18)8-11(14)10(3)22/h7-8H,5-6H2,1-4H3