2-(2-methyl-2-nitro-propyl)-5-nitro-1-oxidanidyl-quinolin-1-ium

Systemtic Name: 2-(2-methyl-2-nitro-propyl)-5-nitro-1-oxidanidyl-quinolin-1-ium Openeye Name: 2-(2-methyl-2-nitro-propyl)-5-nitro-1-oxido-quinolin-1-ium CAS Name: 2-(2-methyl-2-nitropropyl)-5-nitro-1-oxidoquinolin-1-ium IUPAC Name: 2-(2-methyl-2-nitropropyl)-5-nitro-1-oxidoquinolin-1-ium Traditional Name: 2-(2-methyl-2-nitro-propyl)-5-nitro-1-oxido-quinolin-1-ium Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=[N+](C2=C(C=C1)C(=CC=C2)[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(CC1=[N+](C2=C(C=C1)C(=CC=C2)[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-13(2,16(20)21)8-9-6-7-10-11(14(9)17)4-3-5-12(10)15(18)19/h3-7H,8H2,1-2H3