tert-butyl 4-(4-nitro-3-phenylmethoxy-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-nitro-3-phenylmethoxy-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-benzyloxy-4-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(4-nitro-3-phenylmethoxyphenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-nitro-3-phenylmethoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(3-benzoxy-4-nitro-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5/c1-22(2,3)30-21(26)24-13-11-23(12-14-24)18-9-10-19(25(27)28)20(15-18)29-16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3