5-methoxy-7-nitro-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 5-methoxy-7-nitro-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 5-methoxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 5-methoxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 5-methoxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (5-methoxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C8H7N5O4 MolecularWeight: 237.17228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])[N+](=NC(=N2)N)[O-]

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])[N+](=NC(=N2)N)[O-]

InChI

InChI=1S/C8H7N5O4/c1-17-6-3-4(13(15)16)2-5-7(6)10-8(9)11-12(5)14/h2-3H,1H3,(H2,9,10,11)