6-azanyl-4-(5-azanylpentylamino)-2,2-dibutyl-7-nitro-3,4-dihydrochromen-3-ol

Systemtic Name: 6-azanyl-4-(5-azanylpentylamino)-2,2-dibutyl-7-nitro-3,4-dihydrochromen-3-ol Openeye Name: 6-amino-4-(5-aminopentylamino)-2,2-dibutyl-7-nitro-chroman-3-ol CAS Name: 6-amino-4-(5-aminopentylamino)-2,2-dibutyl-7-nitro-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: 6-amino-4-(5-aminopentylamino)-2,2-dibutyl-7-nitro-3,4-dihydrochromen-3-ol Traditional Name: 6-amino-4-(5-aminopentylamino)-2,2-dibutyl-7-nitro-chroman-3-ol Formula: C22H38N4O4 MolecularWeight: 422.56152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)NCCCCCN)O)CCCC

Isomeric SMILES

CCCCC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)NCCCCCN)O)CCCC

InChI

InChI=1S/C22H38N4O4/c1-3-5-10-22(11-6-4-2)21(27)20(25-13-9-7-8-12-23)16-14-17(24)18(26(28)29)15-19(16)30-22/h14-15,20-21,25,27H,3-13,23-24H2,1-2H3