1-[3-methyl-1-(3-nitropyridin-2-yl)oxy-butan-2-yl]imidazo[4,5-c]quinolin-4-amine

Systemtic Name: 1-[3-methyl-1-(3-nitropyridin-2-yl)oxy-butan-2-yl]imidazo[4,5-c]quinolin-4-amine Openeye Name: 1-[2-methyl-1-[(3-nitro-2-pyridyl)oxymethyl]propyl]imidazo[4,5-c]quinolin-4-amine CAS Name: 1-[3-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-yl]-4-imidazo[4,5-c]quinolinamine IUPAC Name: 1-[3-methyl-1-(3-nitropyridin-2-yl)oxybutan-2-yl]imidazo[4,5-c]quinolin-4-amine Traditional Name: [1-[2-methyl-1-[(3-nitro-2-pyridyl)oxymethyl]propyl]imidazo[4,5-c]quinolin-4-yl]amine Formula: C20H20N6O3 MolecularWeight: 392.4112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC1=C(C=CC=N1)[N+](=O)[O-])N2C=NC3=C2C4=CC=CC=C4N=C3N

Isomeric SMILES

CC(C)C(COC1=C(C=CC=N1)[N+](=O)[O-])N2C=NC3=C2C4=CC=CC=C4N=C3N

InChI

InChI=1S/C20H20N6O3/c1-12(2)16(10-29-20-15(26(27)28)8-5-9-22-20)25-11-23-17-18(25)13-6-3-4-7-14(13)24-19(17)21/h3-9,11-12,16H,10H2,1-2H3,(H2,21,24)