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

Systemtic Name: 3-[[4-nitro-7-[phenyl(1-pyridin-3-ylethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[4-nitro-7-[N-[1-(3-pyridyl)ethyl]anilino]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[4-nitro-7-[N-[1-(3-pyridinyl)ethyl]anilino]-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[4-nitro-7-[N-(1-pyridin-3-ylethyl)anilino]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-[N-[1-(3-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=CN=CC=C1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

Isomeric SMILES

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

InChI

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