7-nitro-3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol

Systemtic Name: 7-nitro-3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol Openeye Name: 3-[(isopropylamino)methyl]-7-nitro-2,4-dihydro-1,5-benzodioxepin-3-ol CAS Name: 7-nitro-3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol IUPAC Name: 7-nitro-3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol Traditional Name: 3-[(isopropylamino)methyl]-7-nitro-2,4-dihydro-1,5-benzodioxepin-3-ol Formula: C13H18N2O5 MolecularWeight: 282.29242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1(COC2=C(C=C(C=C2)[N+](=O)[O-])OC1)O

Isomeric SMILES

CC(C)NCC1(COC2=C(C=C(C=C2)[N+](=O)[O-])OC1)O

InChI

InChI=1S/C13H18N2O5/c1-9(2)14-6-13(16)7-19-11-4-3-10(15(17)18)5-12(11)20-8-13/h3-5,9,14,16H,6-8H2,1-2H3