3-[(3-ethyl-1-oxidanidyl-4-oxidanylidene-1,2,4-benzotriazin-4-ium-7-yl)oxy]propan-1-ol

Systemtic Name: 3-[(3-ethyl-1-oxidanidyl-4-oxidanylidene-1,2,4-benzotriazin-4-ium-7-yl)oxy]propan-1-ol Openeye Name: 3-[(3-ethyl-1-oxido-4-oxo-1,2,4-benzotriazin-4-ium-7-yl)oxy]propan-1-ol CAS Name: 3-[(3-ethyl-1-oxido-4-oxo-1,2,4-benzotriazin-4-ium-7-yl)oxy]-1-propanol IUPAC Name: 3-[(3-ethyl-1-oxido-4-oxo-1,2,4-benzotriazin-4-ium-7-yl)oxy]propan-1-ol Traditional Name: 3-[(3-ethyl-4-keto-1-oxido-1,2,4-benzotriazin-4-ium-7-yl)oxy]propan-1-ol Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C([N+]1=O)C=CC(=C2)OCCCO)[O-]

Isomeric SMILES

CCC1=NN(C2=C([N+]1=O)C=CC(=C2)OCCCO)[O-]

InChI

InChI=1S/C12H15N3O4/c1-2-12-13-15(18)11-8-9(19-7-3-6-16)4-5-10(11)14(12)17/h4-5,8,16H,2-3,6-7H2,1H3