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

Systemtic Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol chloride Openeye Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-chroman-3-ol chloride CAS Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol chloride IUPAC Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol chloride Traditional Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-chroman-3-ol chloride Formula: C15H20ClN2O4- MolecularWeight: 327.7833

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCC3CC3)O)C.[Cl-]

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCC3CC3)O)C.[Cl-]

InChI

InChI=1S/C15H20N2O4.ClH/c1-15(2)14(18)13(16-8-9-3-4-9)11-7-10(17(19)20)5-6-12(11)21-15;/h5-7,9,13-14,16,18H,3-4,8H2,1-2H3;1H/p-1/t13-,14+;/m1./s1