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

Systemtic Name: ethyl 4-[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N5O5/c1-4-30-20(27)23-11-9-22(10-12-23)19(26)17-8-6-5-7-16(17)13-24-15(3)18(25(28)29)14(2)21-24/h5-8H,4,9-13H2,1-3H3