tert-butyl 4-[2-nitro-3-(phenylcarbonyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-nitro-3-(phenylcarbonyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-benzoyl-2-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(3-benzoyl-2-nitrophenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-benzoyl-2-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(3-benzoyl-2-nitro-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5/c1-22(2,3)30-21(27)24-14-12-23(13-15-24)18-11-7-10-17(19(18)25(28)29)20(26)16-8-5-4-6-9-16/h4-11H,12-15H2,1-3H3