3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate

Systemtic Name: 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate Openeye Name: isopentyl 5-nitro-1H-pyrazole-4-carboxylate CAS Name: 5-nitro-1H-pyrazole-4-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate Traditional Name: 5-nitro-1H-pyrazole-4-carboxylic acid isoamyl ester Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O4/c1-6(2)3-4-16-9(13)7-5-10-11-8(7)12(14)15/h5-6H,3-4H2,1-2H3,(H,10,11)