(3S,4R)-4-(cyclopropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol; methanesulfonic acid

Systemtic Name: (3S,4R)-4-(cyclopropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol; methanesulfonic acid Openeye Name: (3S,4R)-4-(cyclopropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol; methanesulfonic acid CAS Name: (3S,4R)-4-(cyclopropylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol; methanesulfonic acid IUPAC Name: (3S,4R)-4-(cyclopropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol; methanesulfonic acid Traditional Name: (3S,4R)-4-(cyclopropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol; mesylic acid Formula: C15H22N2O7S MolecularWeight: 374.40938

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3CC3)O)C.CS(=O)(=O)O

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3CC3)O)C.CS(=O)(=O)O

InChI

InChI=1S/C14H18N2O4.CH4O3S/c1-14(2)13(17)12(15-8-3-4-8)10-7-9(16(18)19)5-6-11(10)20-14;1-5(2,3)4/h5-8,12-13,15,17H,3-4H2,1-2H3;1H3,(H,2,3,4)/t12-,13+;/m1./s1