ethyl 4-[3-(4-chloranyl-3-nitro-pyrazol-1-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(4-chloranyl-3-nitro-pyrazol-1-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(4-chloro-3-nitro-pyrazol-1-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-chloro-3-nitro-1-pyrazolyl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-chloro-3-nitropyrazol-1-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-chloro-3-nitro-pyrazol-1-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H18ClN5O5 MolecularWeight: 359.76552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H18ClN5O5/c1-2-24-13(21)17-7-5-16(6-8-17)11(20)3-4-18-9-10(14)12(15-18)19(22)23/h9H,2-8H2,1H3