2-[[4-nitro-7-[phenyl(1-pyridin-3-ylethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]ethanol

Systemtic Name: 2-[[4-nitro-7-[phenyl(1-pyridin-3-ylethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[4-nitro-7-[N-[1-(3-pyridyl)ethyl]anilino]-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[4-nitro-7-[N-[1-(3-pyridinyl)ethyl]anilino]-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[4-nitro-7-[N-(1-pyridin-3-ylethyl)anilino]-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[4-nitro-7-[N-[1-(3-pyridyl)ethyl]anilino]benzofurazan-5-yl]amino]ethanol Formula: C21H20N6O4 MolecularWeight: 420.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C1=CN=CC=C1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

InChI

InChI=1S/C21H20N6O4/c1-14(15-6-5-9-22-13-15)26(16-7-3-2-4-8-16)18-12-17(23-10-11-28)21(27(29)30)20-19(18)24-31-25-20/h2-9,12-14,23,28H,10-11H2,1H3