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

Systemtic Name: 3-[[7-[butyl-(phenylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-[benzyl(butyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[butyl-(phenylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-[benzyl(butyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[benzyl(butyl)amino]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C20H25N5O4 MolecularWeight: 399.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-2-3-11-24(14-15-8-5-4-6-9-15)17-13-16(21-10-7-12-26)20(25(27)28)19-18(17)22-29-23-19/h4-6,8-9,13,21,26H,2-3,7,10-12,14H2,1H3