(3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidin-1-ylethylamino)-3,4-dihydrochromen-3-ol

Systemtic Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidin-1-ylethylamino)-3,4-dihydrochromen-3-ol Openeye Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidin-1-ylethylamino)chroman-3-ol CAS Name: (3S,4R)-2,2-dimethyl-6-nitro-4-[2-(1-pyrrolidinyl)ethylamino]-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidin-1-ylethylamino)-3,4-dihydrochromen-3-ol Traditional Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidinoethylamino)chroman-3-ol Formula: C17H25N3O4 MolecularWeight: 335.3981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCCN3CCCC3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCCN3CCCC3)O)C

InChI

InChI=1S/C17H25N3O4/c1-17(2)16(21)15(18-7-10-19-8-3-4-9-19)13-11-12(20(22)23)5-6-14(13)24-17/h5-6,11,15-16,18,21H,3-4,7-10H2,1-2H3/t15-,16+/m1/s1