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

Systemtic Name: 3-[[7-[(4-methoxyphenyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(4-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-(4-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(4-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-(p-anisidino)benzofurazan-5-yl]amino]propan-1-ol Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O5/c1-25-11-5-3-10(4-6-11)18-12-9-13(17-7-2-8-22)16(21(23)24)15-14(12)19-26-20-15/h3-6,9,17-18,22H,2,7-8H2,1H3