6,7-diethoxy-1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3-one

Systemtic Name: 6,7-diethoxy-1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3-one Openeye Name: 6,7-diethoxy-1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one CAS Name: 6,7-diethoxy-1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one IUPAC Name: 6,7-diethoxy-1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one Traditional Name: 6,7-diethoxy-1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=O)N[N+](=C2C=C1OCC)[O-]

Isomeric SMILES

CCOC1=CC2=NC(=O)N[N+](=C2C=C1OCC)[O-]

InChI

InChI=1S/C11H13N3O4/c1-3-17-9-5-7-8(6-10(9)18-4-2)14(16)13-11(15)12-7/h5-6H,3-4H2,1-2H3,(H,12,13,15)