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

Systemtic Name: tert-butyl 4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-nitro-4-(1-piperidyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-nitro-4-piperidino-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5/c1-21(2,3)30-20(27)24-13-11-23(12-14-24)19(26)16-7-8-17(18(15-16)25(28)29)22-9-5-4-6-10-22/h7-8,15H,4-6,9-14H2,1-3H3