4-(3-chloranylpropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol hydrochloride

Systemtic Name: 4-(3-chloranylpropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol hydrochloride Openeye Name: 4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol hydrochloride CAS Name: 4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol hydrochloride IUPAC Name: 4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol hydrochloride Traditional Name: 4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol hydrochloride Formula: C14H20Cl2N2O4 MolecularWeight: 351.2256

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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.Cl

Isomeric SMILES

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

InChI

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