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

Systemtic Name: 3-[[7-[methyl-(phenylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-[benzyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[methyl-(phenylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-[benzyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[benzyl(methyl)amino]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C17H19N5O4/c1-21(11-12-6-3-2-4-7-12)14-10-13(18-8-5-9-23)17(22(24)25)16-15(14)19-26-20-16/h2-4,6-7,10,18,23H,5,8-9,11H2,1H3