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

Systemtic Name: tert-butyl 4-[5-(cyclopropylamino)-2-fluoranyl-4-nitro-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(cyclopropylamino)-2-fluoro-4-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[5-(cyclopropylamino)-2-fluoro-4-nitrophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(cyclopropylamino)-2-fluoro-4-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[5-(cyclopropylamino)-2-fluoro-4-nitro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25FN4O4 MolecularWeight: 380.413903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2F)[N+](=O)[O-])NC3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2F)[N+](=O)[O-])NC3CC3

InChI

InChI=1S/C18H25FN4O4/c1-18(2,3)27-17(24)22-8-6-21(7-9-22)15-11-14(20-12-4-5-12)16(23(25)26)10-13(15)19/h10-12,20H,4-9H2,1-3H3