methyl 1-(2,4-dinitrophenyl)-3-propyl-pyrazole-4-carboxylate

Systemtic Name: methyl 1-(2,4-dinitrophenyl)-3-propyl-pyrazole-4-carboxylate Openeye Name: methyl 1-(2,4-dinitrophenyl)-3-propyl-pyrazole-4-carboxylate CAS Name: 1-(2,4-dinitrophenyl)-3-propyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dinitrophenyl)-3-propylpyrazole-4-carboxylate Traditional Name: 1-(2,4-dinitrophenyl)-3-propyl-pyrazole-4-carboxylic acid methyl ester Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C=C1C(=O)OC)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C=C1C(=O)OC)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6/c1-3-4-11-10(14(19)24-2)8-16(15-11)12-6-5-9(17(20)21)7-13(12)18(22)23/h5-8H,3-4H2,1-2H3