tert-butyl 4-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(5-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(5-methyl-4-nitropyrazol-1-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H25N5O5 MolecularWeight: 367.4002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O5/c1-12-13(21(24)25)11-17-20(12)6-5-14(22)18-7-9-19(10-8-18)15(23)26-16(2,3)4/h11H,5-10H2,1-4H3