tert-butyl 4-(3-azanyl-6-bromanyl-2-fluoranyl-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-azanyl-6-bromanyl-2-fluoranyl-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-amino-6-bromo-2-fluoro-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylate CAS Name: 4-(3-amino-6-bromo-2-fluoro-4-nitrophenyl)-3-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-amino-6-bromo-2-fluoro-4-nitrophenyl)-3-methylpiperazine-1-carboxylate Traditional Name: 4-(3-amino-6-bromo-2-fluoro-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22BrFN4O4 MolecularWeight: 433.272683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(C=C(C(=C2F)N)[N+](=O)[O-])Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CN(CCN1C2=C(C=C(C(=C2F)N)[N+](=O)[O-])Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H22BrFN4O4/c1-9-8-20(15(23)26-16(2,3)4)5-6-21(9)14-10(17)7-11(22(24)25)13(19)12(14)18/h7,9H,5-6,8,19H2,1-4H3