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

Systemtic Name: tert-butyl 4-(3-azanyl-2-fluoranyl-6-methyl-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-amino-2-fluoro-6-methyl-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylate CAS Name: 4-(3-amino-2-fluoro-6-methyl-4-nitrophenyl)-3-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-amino-2-fluoro-6-methyl-4-nitrophenyl)-3-methylpiperazine-1-carboxylate Traditional Name: 4-(3-amino-2-fluoro-6-methyl-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C17H25FN4O4 MolecularWeight: 368.403203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(C(=C(C=C2C)[N+](=O)[O-])N)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CN(CCN1C2=C(C(=C(C=C2C)[N+](=O)[O-])N)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25FN4O4/c1-10-8-12(22(24)25)14(19)13(18)15(10)21-7-6-20(9-11(21)2)16(23)26-17(3,4)5/h8,11H,6-7,9,19H2,1-5H3