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

Systemtic Name: (2-ethanoyl-4-methyl-phenyl) 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylate Openeye Name: (2-acetyl-4-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-methylphenyl) ester IUPAC Name: (2-acetyl-4-methylphenyl) 2-methyl-4-nitro-5-propylpyrazole-3-carboxylate Traditional Name: 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylic acid (2-acetyl-4-methyl-phenyl) ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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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)C)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-5-6-13-15(20(23)24)16(19(4)18-13)17(22)25-14-8-7-10(2)9-12(14)11(3)21/h7-9H,5-6H2,1-4H3