ethyl 4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H25N5O5 MolecularWeight: 367.4002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

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