ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: ethyl-[2-(isopropylamino)-2-oxo-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: ethyl-[2-(isopropylamino)-2-keto-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C16H24N3O5+ MolecularWeight: 338.37886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC(C)C

InChI

InChI=1S/C16H23N3O5/c1-4-18(8-15(20)17-11(2)3)7-12-5-14(19(21)22)6-13-9-23-10-24-16(12)13/h5-6,11H,4,7-10H2,1-3H3,(H,17,20)/p+1