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

Systemtic Name: tert-butyl N-[2-[(6-chloranyl-3-nitro-2-oxidanyl-phenyl)sulfonylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(6-chloro-2-hydroxy-3-nitro-phenyl)sulfonylamino]ethyl]carbamate CAS Name: N-[2-[(6-chloro-2-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(6-chloro-2-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]carbamate Traditional Name: N-[2-[(6-chloro-2-hydroxy-3-nitro-phenyl)sulfonylamino]ethyl]carbamic acid tert-butyl ester Formula: C13H18ClN3O7S MolecularWeight: 395.81592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O7S/c1-13(2,3)24-12(19)15-6-7-16-25(22,23)11-8(14)4-5-9(10(11)18)17(20)21/h4-5,16,18H,6-7H2,1-3H3,(H,15,19)