[(2R,3S,6R)-6-methyl-2-(2-oxidanylidenepropyl)oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [(2R,3S,6R)-6-methyl-2-(2-oxidanylidenepropyl)oxan-3-yl] 4-nitrobenzoate Openeye Name: [(2R,3S,6R)-2-acetonyl-6-methyl-tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3S,6R)-6-methyl-2-(2-oxopropyl)-3-oxanyl] ester IUPAC Name: [(2R,3S,6R)-6-methyl-2-(2-oxopropyl)oxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3S,6R)-2-acetonyl-6-methyl-tetrahydropyran-3-yl] ester Formula: C16H19NO6 MolecularWeight: 321.32516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(O1)CC(=O)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](O1)CC(=O)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO6/c1-10(18)9-15-14(8-3-11(2)22-15)23-16(19)12-4-6-13(7-5-12)17(20)21/h4-7,11,14-15H,3,8-9H2,1-2H3/t11-,14+,15-/m1/s1