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

Systemtic Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol Openeye Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-chroman-3-ol CAS Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol Traditional Name: (3S,4R)-4-(cyclopropylmethylamino)-2,2-dimethyl-6-nitro-chroman-3-ol Formula: C15H20N2O4 MolecularWeight: 292.3303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCC3CC3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCC3CC3)O)C

InChI

InChI=1S/C15H20N2O4/c1-15(2)14(18)13(16-8-9-3-4-9)11-7-10(17(19)20)5-6-12(11)21-15/h5-7,9,13-14,16,18H,3-4,8H2,1-2H3/t13-,14+/m1/s1