3-methylbutyl 3,4-dinitro-1H-pyrazole-5-carboxylate

Systemtic Name: 3-methylbutyl 3,4-dinitro-1H-pyrazole-5-carboxylate Openeye Name: isopentyl 3,4-dinitro-1H-pyrazole-5-carboxylate CAS Name: 3,4-dinitro-1H-pyrazole-5-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3,4-dinitro-1H-pyrazole-5-carboxylate Traditional Name: 3,4-dinitro-1H-pyrazole-5-carboxylic acid isoamyl ester Formula: C9H12N4O6 MolecularWeight: 272.21478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(C(=NN1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)C1=C(C(=NN1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O6/c1-5(2)3-4-19-9(14)6-7(12(15)16)8(11-10-6)13(17)18/h5H,3-4H2,1-2H3,(H,10,11)