(2,2,7,7-tetramethyl-1-oxidanyl-azepan-4-yl) 4-nitrobenzoate

Systemtic Name: (2,2,7,7-tetramethyl-1-oxidanyl-azepan-4-yl) 4-nitrobenzoate Openeye Name: (1-hydroxy-2,2,7,7-tetramethyl-azepan-4-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-hydroxy-2,2,7,7-tetramethyl-4-azepanyl) ester IUPAC Name: (1-hydroxy-2,2,7,7-tetramethylazepan-4-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-hydroxy-2,2,7,7-tetramethyl-azepan-4-yl) ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC(N1O)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCC(CC(N1O)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H24N2O5/c1-16(2)10-9-14(11-17(3,4)19(16)23)24-15(20)12-5-7-13(8-6-12)18(21)22/h5-8,14,23H,9-11H2,1-4H3