ethyl 4-[4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H20ClN5O5 MolecularWeight: 421.8349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN5O5/c1-2-29-18(26)22-9-7-21(8-10-22)17(25)14-5-3-13(4-6-14)11-23-12-15(19)16(20-23)24(27)28/h3-6,12H,2,7-11H2,1H3