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

Systemtic Name: 5-[2-(ethylcarbamoylamino)-5-oxidanylidene-pyrazol-1-yl]benzene-1,3-disulfonic acid Openeye Name: 5-[2-(ethylcarbamoylamino)-5-oxo-pyrazol-1-yl]benzene-1,3-disulfonic acid CAS Name: 5-[2-(ethylcarbamoylamino)-5-oxo-1-pyrazolyl]benzene-1,3-disulfonic acid IUPAC Name: 5-[2-(ethylcarbamoylamino)-5-oxopyrazol-1-yl]benzene-1,3-disulfonic acid Traditional Name: 5-[2-(ethylcarbamoylamino)-5-keto-3-pyrazolin-1-yl]benzene-1,3-disulfonic acid Formula: C12H14N4O8S2 MolecularWeight: 406.39156

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NN1C=CC(=O)N1C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCNC(=O)NN1C=CC(=O)N1C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H14N4O8S2/c1-2-13-12(18)14-15-4-3-11(17)16(15)8-5-9(25(19,20)21)7-10(6-8)26(22,23)24/h3-7H,2H2,1H3,(H2,13,14,18)(H,19,20,21)(H,22,23,24)