1-oxidanidyl-3-prop-2-enyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 1-oxidanidyl-3-prop-2-enyl-1,2,4-benzotriazin-1-ium Openeye Name: 3-allyl-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 1-oxido-3-prop-2-enyl-1,2,4-benzotriazin-1-ium IUPAC Name: 1-oxido-3-prop-2-enyl-1,2,4-benzotriazin-1-ium Traditional Name: 3-allyl-1-oxido-1,2,4-benzotriazin-1-ium Formula: C10H9N3O MolecularWeight: 187.19796

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=NC2=CC=CC=C2[N+](=N1)[O-]

Isomeric SMILES

C=CCC1=NC2=CC=CC=C2[N+](=N1)[O-]

InChI

InChI=1S/C10H9N3O/c1-2-5-10-11-8-6-3-4-7-9(8)13(14)12-10/h2-4,6-7H,1,5H2