(4-ethanoyl-5-methyl-hexyl) (4-nitrophenyl) carbonate

Systemtic Name: (4-ethanoyl-5-methyl-hexyl) (4-nitrophenyl) carbonate Openeye Name: (4-acetyl-5-methyl-hexyl) (4-nitrophenyl) carbonate CAS Name: carbonic acid (4-acetyl-5-methylhexyl) (4-nitrophenyl) ester IUPAC Name: (4-acetyl-5-methylhexyl) (4-nitrophenyl) carbonate Traditional Name: carbonic acid (4-acetyl-5-methyl-hexyl) (4-nitrophenyl) ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(C)C(CCCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C16H21NO6/c1-11(2)15(12(3)18)5-4-10-22-16(19)23-14-8-6-13(7-9-14)17(20)21/h6-9,11,15H,4-5,10H2,1-3H3