tert-butyl N-[4-[(5-fluoranyl-2-nitro-phenyl)amino]butyl]carbamate

Systemtic Name: tert-butyl N-[4-[(5-fluoranyl-2-nitro-phenyl)amino]butyl]carbamate Openeye Name: tert-butyl N-[4-(5-fluoro-2-nitro-anilino)butyl]carbamate CAS Name: N-[4-(5-fluoro-2-nitroanilino)butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(5-fluoro-2-nitroanilino)butyl]carbamate Traditional Name: N-[4-(5-fluoro-2-nitro-anilino)butyl]carbamic acid tert-butyl ester Formula: C15H22FN3O4 MolecularWeight: 327.351283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCNC1=C(C=CC(=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCNC1=C(C=CC(=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C15H22FN3O4/c1-15(2,3)23-14(20)18-9-5-4-8-17-12-10-11(16)6-7-13(12)19(21)22/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,18,20)