(3S,4R)-4-azanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol hydrochloride

Systemtic Name: (3S,4R)-4-azanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol hydrochloride Openeye Name: (3S,4R)-4-amino-2,2-dimethyl-6-nitro-chroman-3-ol hydrochloride CAS Name: (3S,4R)-4-amino-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol hydrochloride IUPAC Name: (3S,4R)-4-amino-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol hydrochloride Traditional Name: (3S,4R)-4-amino-2,2-dimethyl-6-nitro-chroman-3-ol hydrochloride Formula: C11H15ClN2O4 MolecularWeight: 274.7008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4.ClH/c1-11(2)10(14)9(12)7-5-6(13(15)16)3-4-8(7)17-11;/h3-5,9-10,14H,12H2,1-2H3;1H/t9-,10+;/m1./s1