6-(4-methoxyphenyl)-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromen-3-ol

Systemtic Name: 6-(4-methoxyphenyl)-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromen-3-ol Openeye Name: 6-(4-methoxyphenyl)-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-3-ol CAS Name: 6-(4-methoxyphenyl)-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: 6-(4-methoxyphenyl)-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromen-3-ol Traditional Name: 6-(4-methoxyphenyl)-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-3-ol Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C(=C2)C3=CC=C(C=C3)OC)[N+](=O)[O-])NCCC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=C(C(=C2)C3=CC=C(C=C3)OC)[N+](=O)[O-])NCCC4=CC=CC=C4)O)C

InChI

InChI=1S/C26H28N2O5/c1-26(2)25(29)24(27-14-13-17-7-5-4-6-8-17)21-15-20(18-9-11-19(32-3)12-10-18)22(28(30)31)16-23(21)33-26/h4-12,15-16,24-25,27,29H,13-14H2,1-3H3