[4-(3-chloranylpropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] methanesulfonate

Systemtic Name: [4-(3-chloranylpropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] methanesulfonate Openeye Name: [4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-chroman-3-yl] methanesulfonate CAS Name: methanesulfonic acid [4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-(3-chloropropylamino)-2,2-dimethyl-6-nitro-chroman-3-yl] ester Formula: C15H21ClN2O6S MolecularWeight: 392.85504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O6S/c1-15(2)14(24-25(3,21)22)13(17-8-4-7-16)11-9-10(18(19)20)5-6-12(11)23-15/h5-6,9,13-14,17H,4,7-8H2,1-3H3