tert-butyl 4-[5-(ethylamino)-2-fluoranyl-4-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(ethylamino)-2-fluoranyl-4-nitro-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(ethylamino)-2-fluoro-4-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[5-(ethylamino)-2-fluoro-4-nitrophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(ethylamino)-2-fluoro-4-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[5-(ethylamino)-2-fluoro-4-nitro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H25FN4O4 MolecularWeight: 368.403203

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)F)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)F)[N+](=O)[O-]

InChI

InChI=1S/C17H25FN4O4/c1-5-19-13-11-14(12(18)10-15(13)22(24)25)20-6-8-21(9-7-20)16(23)26-17(2,3)4/h10-11,19H,5-9H2,1-4H3