2-[4-(butylcarbamoyl)-1,2,5-thiadiazol-3-yl]-4-nitro-phenolate

Systemtic Name: 2-[4-(butylcarbamoyl)-1,2,5-thiadiazol-3-yl]-4-nitro-phenolate Openeye Name: 2-[4-(butylcarbamoyl)-1,2,5-thiadiazol-3-yl]-4-nitro-phenolate CAS Name: 2-[4-[butylamino(oxo)methyl]-1,2,5-thiadiazol-3-yl]-4-nitrophenolate IUPAC Name: 2-[4-(butylcarbamoyl)-1,2,5-thiadiazol-3-yl]-4-nitrophenolate Traditional Name: 2-[4-(butylcarbamoyl)-1,2,5-thiadiazol-3-yl]-4-nitro-phenolate Formula: C13H13N4O4S- MolecularWeight: 321.33172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NSN=C1C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCNC(=O)C1=NSN=C1C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H14N4O4S/c1-2-3-6-14-13(19)12-11(15-22-16-12)9-7-8(17(20)21)4-5-10(9)18/h4-5,7,18H,2-3,6H2,1H3,(H,14,19)/p-1