1-[(E)-(4-bromanyl-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-6-yl)methylideneamino]-3-butyl-urea

Systemtic Name: 1-[(E)-(4-bromanyl-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-6-yl)methylideneamino]-3-butyl-urea Openeye Name: 1-[(E)-(4-bromo-3-oxido-2,1,3-benzoxadiazol-3-ium-6-yl)methyleneamino]-3-butyl-urea CAS Name: 1-[(E)-(4-bromo-3-oxido-2,1,3-benzoxadiazol-3-ium-6-yl)methylideneamino]-3-butylurea IUPAC Name: 1-[(E)-(4-bromo-3-oxido-2,1,3-benzoxadiazol-3-ium-6-yl)methylideneamino]-3-butylurea Traditional Name: 1-[(E)-(7-bromo-1-oxido-benzofurazan-1-ium-5-yl)methyleneamino]-3-butyl-urea Formula: C12H14BrN5O3 MolecularWeight: 356.17526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrN5O3/c1-2-3-4-14-12(19)16-15-7-8-5-9(13)11-10(6-8)17-21-18(11)20/h5-7H,2-4H2,1H3,(H2,14,16,19)/b15-7+