6-azanyl-4-(5-azanylpentylamino)-7-nitro-2,2-di(propan-2-yl)-3,4-dihydrochromen-3-ol

Systemtic Name: 6-azanyl-4-(5-azanylpentylamino)-7-nitro-2,2-di(propan-2-yl)-3,4-dihydrochromen-3-ol Openeye Name: 6-amino-4-(5-aminopentylamino)-2,2-diisopropyl-7-nitro-chroman-3-ol CAS Name: 6-amino-4-(5-aminopentylamino)-7-nitro-2,2-di(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: 6-amino-4-(5-aminopentylamino)-7-nitro-2,2-di(propan-2-yl)-3,4-dihydrochromen-3-ol Traditional Name: 6-amino-4-(5-aminopentylamino)-2,2-diisopropyl-7-nitro-chroman-3-ol Formula: C20H34N4O4 MolecularWeight: 394.50836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)NCCCCCN)O)C(C)C

Isomeric SMILES

CC(C)C1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)NCCCCCN)O)C(C)C

InChI

InChI=1S/C20H34N4O4/c1-12(2)20(13(3)4)19(25)18(23-9-7-5-6-8-21)14-10-15(22)16(24(26)27)11-17(14)28-20/h10-13,18-19,23,25H,5-9,21-22H2,1-4H3