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

Systemtic Name: ethyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H21N5O5 MolecularWeight: 339.34704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O5/c1-4-24-14(21)17-7-5-16(6-8-17)12(20)9-18-11(3)13(19(22)23)10(2)15-18/h4-9H2,1-3H3