(2S,3S,4R)-4-azanyl-2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methyl-6-nitro-3,4-dihydrochromen-3-ol

Systemtic Name: (2S,3S,4R)-4-azanyl-2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methyl-6-nitro-3,4-dihydrochromen-3-ol Openeye Name: (2S,3S,4R)-4-amino-2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methyl-6-nitro-chroman-3-ol CAS Name: (2S,3S,4R)-4-amino-2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (2S,3S,4R)-4-amino-2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methyl-6-nitro-3,4-dihydrochromen-3-ol Traditional Name: (2S,3S,4R)-4-amino-2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methyl-6-nitro-chroman-3-ol Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2(C(C(C3=C(O2)C=CC(=C3)[N+](=O)[O-])N)O)C)C

Isomeric SMILES

C[C@]1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N)O)C3OCC(CO3)(C)C

InChI

InChI=1S/C16H22N2O6/c1-15(2)7-22-14(23-8-15)16(3)13(19)12(17)10-6-9(18(20)21)4-5-11(10)24-16/h4-6,12-14,19H,7-8,17H2,1-3H3/t12-,13+,16+/m1/s1