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

Systemtic Name: 3-[[7-[ethyl(1-phenylethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-[ethyl(1-phenylethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[ethyl(1-phenylethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-[ethyl(1-phenylethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[ethyl(1-phenylethyl)amino]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCCO)C(C)C3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCCO)C(C)C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O4/c1-3-23(13(2)14-8-5-4-6-9-14)16-12-15(20-10-7-11-25)19(24(26)27)18-17(16)21-28-22-18/h4-6,8-9,12-13,20,25H,3,7,10-11H2,1-2H3