[(3R)-3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl] (4R,5S)-4,5-dinitrooxyhexanoate

Systemtic Name: [(3R)-3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl] (4R,5S)-4,5-dinitrooxyhexanoate Openeye Name: [(3R)-3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl] (4R,5S)-4,5-dinitrooxyhexanoate CAS Name: (4R,5S)-4,5-dinitrooxyhexanoic acid [(3R)-3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl] ester IUPAC Name: [(3R)-3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl] (4R,5S)-4,5-dinitrooxyhexanoate Traditional Name: (4R,5S)-4,5-dinitrooxyhexanoic acid [(3R)-3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl] ester Formula: C20H20ClN3O9 MolecularWeight: 481.8405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C(OCC2=C1OC(=O)CCC(C(C)O[N+](=O)[O-])O[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC=C2[C@H](OCC2=C1OC(=O)CC[C@H]([C@H](C)O[N+](=O)[O-])O[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O9/c1-11-19(31-18(25)8-7-17(33-24(28)29)12(2)32-23(26)27)16-10-30-20(15(16)9-22-11)13-3-5-14(21)6-4-13/h3-6,9,12,17,20H,7-8,10H2,1-2H3/t12-,17+,20+/m0/s1