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

Systemtic Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(3-oxidanylpropylamino)-3,4-dihydrochromen-3-ol chloride Openeye Name: (3S,4R)-4-(3-hydroxypropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol chloride CAS Name: (3S,4R)-4-(3-hydroxypropylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol chloride IUPAC Name: (3S,4R)-4-(3-hydroxypropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol chloride Traditional Name: (3S,4R)-4-(3-hydroxypropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol chloride Formula: C14H20ClN2O5- MolecularWeight: 331.772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5.ClH/c1-14(2)13(18)12(15-6-3-7-17)10-8-9(16(19)20)4-5-11(10)21-14;/h4-5,8,12-13,15,17-18H,3,6-7H2,1-2H3;1H/p-1/t12-,13+;/m1./s1