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

Systemtic Name: 3-[[4-nitro-7-[phenyl(1-pyridin-2-ylethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[4-nitro-7-[N-[1-(2-pyridyl)ethyl]anilino]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[4-nitro-7-[N-[1-(2-pyridinyl)ethyl]anilino]-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[4-nitro-7-[N-(1-pyridin-2-ylethyl)anilino]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-[N-[1-(2-pyridyl)ethyl]anilino]benzofurazan-5-yl]amino]propan-1-ol Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

Isomeric SMILES

CC(C1=CC=CC=N1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C22H22N6O4/c1-15(17-10-5-6-11-23-17)27(16-8-3-2-4-9-16)19-14-18(24-12-7-13-29)22(28(30)31)21-20(19)25-32-26-21/h2-6,8-11,14-15,24,29H,7,12-13H2,1H3