tert-butyl 4-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-nitro-4-pyrrolidin-1-yl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-nitro-4-pyrrolidino-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O5/c1-20(2,3)29-19(26)23-12-10-22(11-13-23)18(25)15-6-7-16(17(14-15)24(27)28)21-8-4-5-9-21/h6-7,14H,4-5,8-13H2,1-3H3