ethyl 2-ethyl-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-ethyl-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylate Openeye Name: ethyl 2-ethyl-5-isobutyl-4-nitro-pyrazole-3-carboxylate CAS Name: 2-ethyl-5-(2-methylpropyl)-4-nitro-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-5-(2-methylpropyl)-4-nitropyrazole-3-carboxylate Traditional Name: 2-ethyl-5-isobutyl-4-nitro-pyrazole-3-carboxylic acid ethyl ester Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)CC(C)C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN1C(=C(C(=N1)CC(C)C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C12H19N3O4/c1-5-14-11(12(16)19-6-2)10(15(17)18)9(13-14)7-8(3)4/h8H,5-7H2,1-4H3