(3S,4R)-4-azanyl-2,2-bis(methoxymethyl)-6-nitro-3,4-dihydrochromen-3-ol

Systemtic Name: (3S,4R)-4-azanyl-2,2-bis(methoxymethyl)-6-nitro-3,4-dihydrochromen-3-ol Openeye Name: (3S,4R)-4-amino-2,2-bis(methoxymethyl)-6-nitro-chroman-3-ol CAS Name: (3S,4R)-4-amino-2,2-bis(methoxymethyl)-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (3S,4R)-4-amino-2,2-bis(methoxymethyl)-6-nitro-3,4-dihydrochromen-3-ol Traditional Name: (3S,4R)-4-amino-2,2-bis(methoxymethyl)-6-nitro-chroman-3-ol Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N)O)COC

InChI

InChI=1S/C13H18N2O6/c1-19-6-13(7-20-2)12(16)11(14)9-5-8(15(17)18)3-4-10(9)21-13/h3-5,11-12,16H,6-7,14H2,1-2H3/t11-,12+/m1/s1