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

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4-methyl-6-nitro-phenolate Openeye Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4-methyl-6-nitro-phenolate CAS Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4-methyl-6-nitrophenolate IUPAC Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4-methyl-6-nitrophenolate Traditional Name: 4-methyl-2-nitro-6-(piazthiol-4-yliminomethyl)phenolate Formula: C14H9N4O3S- MolecularWeight: 313.31126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC=CC3=NSN=C32)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC=CC3=NSN=C32)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O3S/c1-8-5-9(14(19)12(6-8)18(20)21)7-15-10-3-2-4-11-13(10)17-22-16-11/h2-7,19H,1H3/p-1