4-(3-chloranylpropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol; methanesulfonic acid

Systemtic Name: 4-(3-chloranylpropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol; methanesulfonic acid Openeye Name: 4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol; methanesulfonic acid CAS Name: 4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol; methanesulfonic acid IUPAC Name: 4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol; methanesulfonic acid Traditional Name: 4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol; mesylic acid Formula: C15H23ClN2O7S MolecularWeight: 410.87032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O4.CH4O3S/c1-14(2)13(18)12(16-7-3-6-15)10-8-9(17(19)20)4-5-11(10)21-14;1-5(2,3)4/h4-5,8,12-13,16,18H,3,6-7H2,1-2H3;1H3,(H,2,3,4)