N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide

Systemtic Name: N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-yl]-N-methyl-acetamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]-N-methylacetamide IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromen-6-yl]-N-methylacetamide Traditional Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-yl]-N-methyl-acetamide Formula: C22H27N3O5 MolecularWeight: 413.46688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(C)C1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-14(26)24(4)17-12-16-19(13-18(17)25(28)29)30-22(2,3)21(27)20(16)23-11-10-15-8-6-5-7-9-15/h5-9,12-13,20-21,23,27H,10-11H2,1-4H3