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

Systemtic Name: 3-[[7-[(4-methoxy-2-nitro-phenyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(4-methoxy-2-nitro-anilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-(4-methoxy-2-nitroanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(4-methoxy-2-nitroanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-(4-methoxy-2-nitro-anilino)-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C16H16N6O7 MolecularWeight: 404.33424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O7/c1-28-9-3-4-10(13(7-9)21(24)25)18-11-8-12(17-5-2-6-23)16(22(26)27)15-14(11)19-29-20-15/h3-4,7-8,17-18,23H,2,5-6H2,1H3