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

Systemtic Name: (4-chloranyl-2-ethanoyl-phenyl) 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate Openeye Name: (2-acetyl-4-chloro-phenyl) 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate CAS Name: 2-methyl-4-nitro-5-propyl-3-pyrazolecarboxylic acid (2-acetyl-4-chlorophenyl) ester IUPAC Name: (2-acetyl-4-chlorophenyl) 2-methyl-4-nitro-5-propylpyrazole-3-carboxylate Traditional Name: 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylic acid (2-acetyl-4-chloro-phenyl) ester Formula: C16H16ClN3O5 MolecularWeight: 365.76834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)Cl)C(=O)C)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)Cl)C(=O)C)C

InChI

InChI=1S/C16H16ClN3O5/c1-4-5-12-14(20(23)24)15(19(3)18-12)16(22)25-13-7-6-10(17)8-11(13)9(2)21/h6-8H,4-5H2,1-3H3