1-hexyl-3-[(E)-(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)methylideneamino]urea

Systemtic Name: 1-hexyl-3-[(E)-(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)methylideneamino]urea Openeye Name: 1-hexyl-3-[(E)-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methyleneamino]urea CAS Name: 1-hexyl-3-[(E)-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylideneamino]urea IUPAC Name: 1-hexyl-3-[(E)-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylideneamino]urea Traditional Name: 1-hexyl-3-[(E)-(1-oxidobenzofurazan-1-ium-5-yl)methyleneamino]urea Formula: C14H19N5O3 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NN=CC1=CC2=NO[N+](=C2C=C1)[O-]

Isomeric SMILES

CCCCCCNC(=O)N/N=C/C1=CC2=NO[N+](=C2C=C1)[O-]

InChI

InChI=1S/C14H19N5O3/c1-2-3-4-5-8-15-14(20)17-16-10-11-6-7-13-12(9-11)18-22-19(13)21/h6-7,9-10H,2-5,8H2,1H3,(H2,15,17,20)/b16-10+