1-(3-azanyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-6-yl)propan-1-one

Systemtic Name: 1-(3-azanyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-6-yl)propan-1-one Openeye Name: 1-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)propan-1-one CAS Name: 1-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-1-propanone IUPAC Name: 1-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)propan-1-one Traditional Name: 1-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)propan-1-one Formula: C10H10N4O2 MolecularWeight: 218.212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)[N+](=NC(=N2)N)[O-]

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)[N+](=NC(=N2)N)[O-]

InChI

InChI=1S/C10H10N4O2/c1-2-9(15)6-3-4-8-7(5-6)12-10(11)13-14(8)16/h3-5H,2H2,1H3,(H2,11,12,13)