1-butyl-3-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)methylamino]urea

Systemtic Name: 1-butyl-3-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)methylamino]urea Openeye Name: 1-butyl-3-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylamino]urea CAS Name: 1-butyl-3-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylamino]urea IUPAC Name: 1-butyl-3-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylamino]urea Traditional Name: 1-butyl-3-[(1-oxidobenzofurazan-1-ium-5-yl)methylamino]urea Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NNCC1=CC2=NO[N+](=C2C=C1)[O-]

Isomeric SMILES

CCCCNC(=O)NNCC1=CC2=NO[N+](=C2C=C1)[O-]

InChI

InChI=1S/C12H17N5O3/c1-2-3-6-13-12(18)15-14-8-9-4-5-11-10(7-9)16-20-17(11)19/h4-5,7,14H,2-3,6,8H2,1H3,(H2,13,15,18)