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

Systemtic Name: 4-[5-(methylcarbamoyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid Openeye Name: 4-[5-(methylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid CAS Name: 4-[5-(methylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid IUPAC Name: 4-[5-(methylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid Traditional Name: 4-[5-keto-3-(methylcarbamoyl)-3-pyrazolin-1-yl]benzene-1,3-disulfonic acid Formula: C11H11N3O8S2 MolecularWeight: 377.35034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O8S2/c1-12-11(16)7-5-10(15)14(13-7)8-3-2-6(23(17,18)19)4-9(8)24(20,21)22/h2-5,13H,1H3,(H,12,16)(H,17,18,19)(H,20,21,22)