tert-butyl 1-[3,3-bis(fluoranyl)propyl]-3-nitro-pyrazole-4-carboxylate

Systemtic Name: tert-butyl 1-[3,3-bis(fluoranyl)propyl]-3-nitro-pyrazole-4-carboxylate Openeye Name: tert-butyl 1-(3,3-difluoropropyl)-3-nitro-pyrazole-4-carboxylate CAS Name: 1-(3,3-difluoropropyl)-3-nitro-4-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(3,3-difluoropropyl)-3-nitropyrazole-4-carboxylate Traditional Name: 1-(3,3-difluoropropyl)-3-nitro-pyrazole-4-carboxylic acid tert-butyl ester Formula: C11H15F2N3O4 MolecularWeight: 291.251306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CN(N=C1[N+](=O)[O-])CCC(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=CN(N=C1[N+](=O)[O-])CCC(F)F

InChI

InChI=1S/C11H15F2N3O4/c1-11(2,3)20-10(17)7-6-15(5-4-8(12)13)14-9(7)16(18)19/h6,8H,4-5H2,1-3H3