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

Systemtic Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(propan-2-ylamino)-3,4-dihydrochromen-3-ol chloride Openeye Name: (3S,4R)-4-(isopropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol chloride CAS Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(propan-2-ylamino)-3,4-dihydro-2H-1-benzopyran-3-ol chloride IUPAC Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(propan-2-ylamino)-3,4-dihydrochromen-3-ol chloride Traditional Name: (3S,4R)-4-(isopropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol chloride Formula: C14H20ClN2O4- MolecularWeight: 315.7726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1C(C(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)O.[Cl-]

Isomeric SMILES

CC(C)N[C@H]1[C@@H](C(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)O.[Cl-]

InChI

InChI=1S/C14H20N2O4.ClH/c1-8(2)15-12-10-7-9(16(18)19)5-6-11(10)20-14(3,4)13(12)17;/h5-8,12-13,15,17H,1-4H3;1H/p-1/t12-,13+;/m1./s1