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

Systemtic Name: 6-azanyl-4-(5-azanylpentylamino)-2,2-bis(methoxymethyl)-7-nitro-3,4-dihydrochromen-3-ol Openeye Name: 6-amino-4-(5-aminopentylamino)-2,2-bis(methoxymethyl)-7-nitro-chroman-3-ol CAS Name: 6-amino-4-(5-aminopentylamino)-2,2-bis(methoxymethyl)-7-nitro-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: 6-amino-4-(5-aminopentylamino)-2,2-bis(methoxymethyl)-7-nitro-3,4-dihydrochromen-3-ol Traditional Name: 6-amino-4-(5-aminopentylamino)-2,2-bis(methoxymethyl)-7-nitro-chroman-3-ol Formula: C18H30N4O6 MolecularWeight: 398.454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)NCCCCCN)O)COC

Isomeric SMILES

COCC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)NCCCCCN)O)COC

InChI

InChI=1S/C18H30N4O6/c1-26-10-18(11-27-2)17(23)16(21-7-5-3-4-6-19)12-8-13(20)14(22(24)25)9-15(12)28-18/h8-9,16-17,21,23H,3-7,10-11,19-20H2,1-2H3