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

Systemtic Name: [(2R,3S,6R)-6-methyl-2-prop-2-enyl-oxan-3-yl] 4-nitrobenzoate Openeye Name: [(2R,3S,6R)-2-allyl-6-methyl-tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3S,6R)-6-methyl-2-prop-2-enyl-3-oxanyl] ester IUPAC Name: [(2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3S,6R)-2-allyl-6-methyl-tetrahydropyran-3-yl] ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-3-4-14-15(10-5-11(2)21-14)22-16(18)12-6-8-13(9-7-12)17(19)20/h3,6-9,11,14-15H,1,4-5,10H2,2H3/t11-,14-,15+/m1/s1