[2,4-bis(chloranyl)-6-ethanoyl-phenyl] 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate

Systemtic Name: [2,4-bis(chloranyl)-6-ethanoyl-phenyl] 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate Openeye Name: (2-acetyl-4,6-dichloro-phenyl) 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate CAS Name: 2-methyl-4-nitro-5-propyl-3-pyrazolecarboxylic acid (2-acetyl-4,6-dichlorophenyl) ester IUPAC Name: (2-acetyl-4,6-dichlorophenyl) 2-methyl-4-nitro-5-propylpyrazole-3-carboxylate Traditional Name: 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylic acid (2-acetyl-4,6-dichloro-phenyl) ester Formula: C16H15Cl2N3O5 MolecularWeight: 400.2134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2N3O5/c1-4-5-12-13(21(24)25)14(20(3)19-12)16(23)26-15-10(8(2)22)6-9(17)7-11(15)18/h6-7H,4-5H2,1-3H3