(3S,4R)-4-(2-hydroxyethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol chloride

Systemtic Name: (3S,4R)-4-(2-hydroxyethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol chloride Openeye Name: (3S,4R)-4-(2-hydroxyethylamino)-2,2-dimethyl-6-nitro-chroman-3-ol chloride CAS Name: (3S,4R)-4-(2-hydroxyethylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol chloride IUPAC Name: (3S,4R)-4-(2-hydroxyethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol chloride Traditional Name: (3S,4R)-4-(2-hydroxyethylamino)-2,2-dimethyl-6-nitro-chroman-3-ol chloride Formula: C13H18ClN2O5- MolecularWeight: 317.74542

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCCO)O)C.[Cl-]

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCCO)O)C.[Cl-]

InChI

InChI=1S/C13H18N2O5.ClH/c1-13(2)12(17)11(14-5-6-16)9-7-8(15(18)19)3-4-10(9)20-13;/h3-4,7,11-12,14,16-17H,5-6H2,1-2H3;1H/p-1/t11-,12+;/m1./s1