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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

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