(2-cyanophenyl) 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate

Systemtic Name: (2-cyanophenyl) 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: (2-cyanophenyl) 1,3-dimethyl-2,4-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3-dimethyl-pyrimidine-5-sulfonic acid (2-cyanophenyl) ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)OC2=CC=CC=C2C#N

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)OC2=CC=CC=C2C#N

InChI

InChI=1S/C13H11N3O5S/c1-15-8-11(12(17)16(2)13(15)18)22(19,20)21-10-6-4-3-5-9(10)7-14/h3-6,8H,1-2H3