tert-butyl 2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(4-nitrophenyl)piperazin-1-yl]acetate CAS Name: 2-[4-(4-nitrophenyl)-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-nitrophenyl)piperazin-1-yl]acetate Traditional Name: 2-[4-(4-nitrophenyl)piperazino]acetic acid tert-butyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)12-17-8-10-18(11-9-17)13-4-6-14(7-5-13)19(21)22/h4-7H,8-12H2,1-3H3