2,1,3-benzothiadiazol-5-yl 3,5-dinitrobenzoate

Systemtic Name: 2,1,3-benzothiadiazol-5-yl 3,5-dinitrobenzoate Openeye Name: 2,1,3-benzothiadiazol-5-yl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2,1,3-benzothiadiazol-5-yl ester IUPAC Name: 2,1,3-benzothiadiazol-5-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid piazthiol-5-yl ester Formula: C13H6N4O6S MolecularWeight: 346.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C=C1OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NSN=C2C=C1OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H6N4O6S/c18-13(23-10-1-2-11-12(6-10)15-24-14-11)7-3-8(16(19)20)5-9(4-7)17(21)22/h1-6H