tert-butyl N-[6-[(6-chloranyl-3-nitro-2-oxidanyl-phenyl)carbonylamino]hexyl]carbamate

Systemtic Name: tert-butyl N-[6-[(6-chloranyl-3-nitro-2-oxidanyl-phenyl)carbonylamino]hexyl]carbamate Openeye Name: tert-butyl N-[6-[(6-chloro-2-hydroxy-3-nitro-benzoyl)amino]hexyl]carbamate CAS Name: N-[6-[[(6-chloro-2-hydroxy-3-nitrophenyl)-oxomethyl]amino]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[(6-chloro-2-hydroxy-3-nitrobenzoyl)amino]hexyl]carbamate Traditional Name: N-[6-[(6-chloro-2-hydroxy-3-nitro-benzoyl)amino]hexyl]carbamic acid tert-butyl ester Formula: C18H26ClN3O6 MolecularWeight: 415.86854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCNC(=O)C1=C(C=CC(=C1O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCNC(=O)C1=C(C=CC(=C1O)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H26ClN3O6/c1-18(2,3)28-17(25)21-11-7-5-4-6-10-20-16(24)14-12(19)8-9-13(15(14)23)22(26)27/h8-9,23H,4-7,10-11H2,1-3H3,(H,20,24)(H,21,25)