2-[5-(dimethylcarbamoyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[5-(dimethylcarbamoyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Openeye Name: 2-[5-(dimethylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid CAS Name: 2-[5-[dimethylamino(oxo)methyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid IUPAC Name: 2-[5-(dimethylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Traditional Name: 2-[3-(dimethylcarbamoyl)-5-keto-3-pyrazolin-1-yl]benzene-1,4-disulfonic acid Formula: C12H13N3O8S2 MolecularWeight: 391.37692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=O)N(N1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CN(C)C(=O)C1=CC(=O)N(N1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H13N3O8S2/c1-14(2)12(17)8-6-11(16)15(13-8)9-5-7(24(18,19)20)3-4-10(9)25(21,22)23/h3-6,13H,1-2H3,(H,18,19,20)(H,21,22,23)