4-nitro-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazole

Systemtic Name: 4-nitro-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazole Openeye Name: 7-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-nitro-2,1,3-benzoxadiazole CAS Name: 4-nitro-7-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2,1,3-benzoxadiazole IUPAC Name: 4-nitro-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazole Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-7-nitro-benzofurazan Formula: C19H20N5O3+ MolecularWeight: 366.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c25-24(26)17-9-8-16(18-19(17)21-27-20-18)23-13-11-22(12-14-23)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2/p+1/b7-4+