1-butyl-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea

Systemtic Name: 1-butyl-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea Openeye Name: 1-butyl-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea CAS Name: 1-butyl-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea IUPAC Name: 1-butyl-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Traditional Name: 1-butyl-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Formula: C12H15N5O2 MolecularWeight: 261.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC2=CC=CC=C2[N+](=N1)[O-]

Isomeric SMILES

CCCCNC(=O)NC1=NC2=CC=CC=C2[N+](=N1)[O-]

InChI

InChI=1S/C12H15N5O2/c1-2-3-8-13-12(18)15-11-14-9-6-4-5-7-10(9)17(19)16-11/h4-7H,2-3,8H2,1H3,(H2,13,14,15,16,18)