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

Systemtic Name: 3-[[4-nitro-7-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[4-nitro-7-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-(benzylamino)-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C16H17N5O4/c22-8-4-7-17-13-9-12(18-10-11-5-2-1-3-6-11)14-15(20-25-19-14)16(13)21(23)24/h1-3,5-6,9,17-18,22H,4,7-8,10H2