2-(2,1,3-benzothiadiazol-4-yliminomethyl)-6-nitro-phenolate

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-6-nitro-phenolate Openeye Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-6-nitro-phenolate CAS Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-6-nitrophenolate IUPAC Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-6-nitrophenolate Traditional Name: 2-nitro-6-(piazthiol-4-yliminomethyl)phenolate Formula: C13H7N4O3S- MolecularWeight: 299.28468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C=NC2=CC=CC3=NSN=C32

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C=NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C13H8N4O3S/c18-13-8(3-1-6-11(13)17(19)20)7-14-9-4-2-5-10-12(9)16-21-15-10/h1-7,18H/p-1